Geometry & MOs

Info

ID:	72130
PubChem CID:	48415842
Reduced:	BrO2N3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	-10.26
Dipole, Da:	4.55
IP(EA), eV:	-9.31(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N,3-dimethyl-2-[(2-phenylacetyl)amino]butanamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC=C(O3)Br

DOS

IR

Vibrations