Geometry & MOs

Info

ID:

443404

PubChem CID:

135258875

Reduced:

SN3H34C46 (2)

Stoich.:

AB3C34D46 (2)

Weight, g/mol:

218.178299

ΔHf, kcal/mol:

462.78

Dipole, Da:

6.0

IP(EA), eV:

 -7.87(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(2,5-dimethylcyclohexyl)-2,5-dimethylpyrimidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=C(C(=C(C=C5)C6=CC=C(C=C6)C7=CC=C(S7)C8=CC=C(C=C8)C9=C(C(=C(C=C9)N(C1=CC=CC=C1)C1=CC=C(C=C1)C(=C(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)N)N=S)N)N)C1=CC=CC=C1

DOS

IR

Vibrations