Geometry & MOs

Info

ID:	82467
PubChem CID:	49856068
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	371.17461
ΔH_f, kcal/mol:	-5.4
Dipole, Da:	7.08
IP(EA), eV:	-9.57(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-amino-5-methyl-2-(3-pyrimidin-5-ylphenyl)imidazol-2-yl]-2,6-dimethylphenol

Drug info:

PubChemData

Smile

C1C2CC3(CC1CC(C2)(C3)NC(=O)C4=C5C(=NC=C4)N=CN5)N

DOS

IR

Vibrations