Geometry & MOs

Info

ID:	397268
PubChem CID:	135029977
Reduced:	O7C20H24 (1)
Stoich.:	A7B20C24 (1)
Weight, g/mol:	376.164774
ΔH_f, kcal/mol:	-231.65
Dipole, Da:	5.91
IP(EA), eV:	-8.96(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-nitrophenyl)-4-phenyl-6-piperidin-1-yl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

COCOC1=C(C(=CC=C1)OCOC)C2=C(C=CC(=C2CC=O)OC)OC

DOS

IR

Vibrations