Geometry & MOs

Info

ID:	71885
PubChem CID:	48415575
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	401.07389
ΔH_f, kcal/mol:	-26.1
Dipole, Da:	7.62
IP(EA), eV:	-9.15(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-3-bromo-4-methoxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC(=C1CCC(=O)N(C)CCCC2=NC3=CC=CC=C3N2)C)C#N

DOS

IR

Vibrations