Geometry & MOs

Info

ID:	136095
PubChem CID:	51978130
Reduced:	ClON3C22H34 (1)
Stoich.:	ABC3D22E34 (1)
Weight, g/mol:	367.165782
ΔH_f, kcal/mol:	-46.78
Dipole, Da:	4.2
IP(EA), eV:	-8.7(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-[2-(3,4-dimethoxyphenyl)ethyl]-2-propylbenzimidazole-5-carboxylate

Drug info:

PubChemData

Smile

CCCCN(CCCC)CCCN1C2=C(C=CC(=C2)Cl)N=C1[C@H]3CCCO3

DOS

IR

Vibrations