Geometry & MOs

Info

ID:	240192
PubChem CID:	93576602
Reduced:	O2N3C25H25 (1)
Stoich.:	A2B3C25D25 (1)
Weight, g/mol:	399.194677
ΔH_f, kcal/mol:	0.55
Dipole, Da:	3.74
IP(EA), eV:	-9.06(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC2=NC3=CC=CC=C3N2CC(=O)N[C@@H](C)C4=CC=CC=C4

DOS

IR

Vibrations