Geometry & MOs

Info

ID:	240200
PubChem CID:	93576629
Reduced:	Cl2N3O3C21H21 (1)
Stoich.:	A2B3C3D21E21 (1)
Weight, g/mol:	387.194677
ΔH_f, kcal/mol:	-71.88
Dipole, Da:	5.31
IP(EA), eV:	-9.17(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CNC(=O)CN2C3=CC=CC=C3N=C2COC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations