Geometry & MOs

Info

ID:	297764
PubChem CID:	117629566
Reduced:	NOC9H9 (3)
Stoich.:	ABC9D9 (3)
Weight, g/mol:	384.147393
ΔH_f, kcal/mol:	-26.71
Dipole, Da:	6.24
IP(EA), eV:	-8.86(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(E)-2-[3-(1H-benzimidazol-2-yl)phenyl]ethenyl]-2-methoxybenzoate

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C=C2CN1CC3=CC(=CC=C3)N4C=NC5=CC=CC=C54)OC)C(=O)OC

DOS

IR

Vibrations