Geometry & MOs

Info

ID:	46329
PubChem CID:	10523908
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	381.195346
ΔH_f, kcal/mol:	-23.04
Dipole, Da:	1.23
IP(EA), eV:	-8.86(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,6-N-dibenzyl-2-phenylpyrimidine-4,5,6-triamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2[C@H]([C@@H]([C@H](N2C)C3=CC=C(C=C3)C)[N+](=O)[O-])N(C)C(=O)C

DOS

IR

Vibrations