Geometry & MOs

Info

ID:	204088
PubChem CID:	79910069
Reduced:	ON3C17H29 (1)
Stoich.:	AB3C17D29 (1)
Weight, g/mol:	200.106196
ΔH_f, kcal/mol:	-56.45
Dipole, Da:	2.64
IP(EA), eV:	-8.98(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-methyl-4-N-phenylpyrimidine-4,5-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2CCOC3(C2)CCCCC3)C)C(C)N

DOS

IR

Vibrations