Geometry & MOs

Info

ID:	368301
PubChem CID:	127327885
Reduced:	F2O2N3C19H27 (1)
Stoich.:	A2B2C3D19E27 (1)
Weight, g/mol:	346.160518
ΔH_f, kcal/mol:	-158.05
Dipole, Da:	2.93
IP(EA), eV:	-8.69(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,6-difluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1CCOC(C1)CNC(=O)NC2CC2C3=C(C=CC=C3F)F

DOS

IR

Vibrations