Geometry & MOs

Info

ID:	295419
PubChem CID:	117528408
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-59.39
Dipole, Da:	3.65
IP(EA), eV:	-8.78(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-cyclopropyl-3-methylbenzimidazol-5-yl)propanoate

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C)C=C(C=C2)CCC(=O)OC

DOS

IR

Vibrations