Geometry & MOs

Info

ID:	156441
PubChem CID:	56370620
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	430.181647
ΔH_f, kcal/mol:	-39.77
Dipole, Da:	2.67
IP(EA), eV:	-8.59(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NOC(=N2)CN3CCC(CC3)CCN4CCOCC4

DOS

IR

Vibrations