Geometry & MOs

Info

ID:	156409
PubChem CID:	56370495
Reduced:	BrO2N4C18H25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	426.10552
ΔH_f, kcal/mol:	-48.57
Dipole, Da:	2.41
IP(EA), eV:	-8.96(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)COC(=O)N1CCCN(CC1)CC2=CN3C=C(C=CC3=N2)Br

DOS

IR

Vibrations