Geometry & MOs

Info

ID:	10672
PubChem CID:	106504
Reduced:	N3O6H17C21 (1)
Stoich.:	A3B6C17D21 (1)
Weight, g/mol:	407.111735
ΔH_f, kcal/mol:	-151.44
Dipole, Da:	4.81
IP(EA), eV:	-9.88(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzene-1,3,5-tricarboxylic acid;3-(2-phenylimidazol-1-yl)propanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC=CN2CCC#N.C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O

DOS

IR

Vibrations