Geometry & MOs

Info

ID:	145646
PubChem CID:	53563625
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	333.111341
ΔH_f, kcal/mol:	-49.52
Dipole, Da:	3.0
IP(EA), eV:	-8.44(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy]propanoic acid

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)CN2CCN(CC2)C3=NC=CN=C3OC

DOS

IR

Vibrations