Geometry & MOs

Info

ID:	156357
PubChem CID:	56370250
Reduced:	O3N4C24H24 (1)
Stoich.:	A3B4C24D24 (1)
Weight, g/mol:	423.243439
ΔH_f, kcal/mol:	-68.2
Dipole, Da:	2.25
IP(EA), eV:	-8.63(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethylbenzimidazol-2-yl)-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC=C2)NC(=O)N[C@H]3[C@H](CC4=CC=CC=C34)O

DOS

IR

Vibrations