Geometry & MOs

Info

ID:	156699
PubChem CID:	56371775
Reduced:	N3O4C23H31 (1)
Stoich.:	A3B4C23D31 (1)
Weight, g/mol:	428.23246
ΔH_f, kcal/mol:	-144.2
Dipole, Da:	6.31
IP(EA), eV:	-8.85(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(C1C)N(CC2=CC3=C(C=C2)OCO3)CC4=CC(=O)N(C(=O)N4C)C

DOS

IR

Vibrations