Geometry & MOs

Info

ID:	72109
PubChem CID:	48415821
Reduced:	BrO2N3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-14.56
Dipole, Da:	5.92
IP(EA), eV:	-9.0(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4-dimethoxyphenyl)-N-methylpropanamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=C(C=CC(=C3)OC)Br

DOS

IR

Vibrations