Geometry & MOs

Info

ID:	124475
PubChem CID:	50884859
Reduced:	N4O7H14C17 (1)
Stoich.:	A4B7C14D17 (1)
Weight, g/mol:	473.06002
ΔH_f, kcal/mol:	-199.64
Dipole, Da:	6.42
IP(EA), eV:	-10.03(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(3,4-diethoxy-5-iodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC\1=C(C(=O)N(C(=O)/C1=N\NC2=CC(=CC(=C2)C(=O)O)C(=O)O)CCO)C#N

DOS

IR

Vibrations