Geometry & MOs

Info

ID:	54308
PubChem CID:	16972258
Reduced:	O2N3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-1.75
Dipole, Da:	1.37
IP(EA), eV:	-8.67(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3N=C2CNC(=O)C=C

DOS

IR

Vibrations