Geometry & MOs

Info

ID:	417245
PubChem CID:	135091788
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-5.1
Dipole, Da:	3.31
IP(EA), eV:	-8.83(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)N2CCC3(CC2)C4=C(CCO3)C=CS4

DOS

IR

Vibrations