Geometry & MOs

Info

ID:	141275
PubChem CID:	52851707
Reduced:	BrN2O3H17C21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	390.241962
ΔH_f, kcal/mol:	-44.71
Dipole, Da:	8.31
IP(EA), eV:	-8.94(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations