Geometry & MOs

Info

ID:	424178
PubChem CID:	135121622
Reduced:	N2O2H26C29 (1)
Stoich.:	A2B2C26D29 (1)
Weight, g/mol:	447.133139
ΔH_f, kcal/mol:	17.74
Dipole, Da:	4.16
IP(EA), eV:	-8.68(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-nitrophenyl)-[2-[(E)-(4-pyridin-2-ylphenyl)methylideneamino]benzimidazol-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C([C@H](CC(=C2C#N)N)C3=CC=CC=C3)[C@H](CC(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations