Geometry & MOs

Info

ID:	55402
PubChem CID:	17395338
Reduced:	SN2O2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	-45.6
Dipole, Da:	2.2
IP(EA), eV:	-8.95(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations