Geometry & MOs

Info

ID:	343743
PubChem CID:	127266919
Reduced:	OF2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	317.165188
ΔH_f, kcal/mol:	-98.0
Dipole, Da:	3.78
IP(EA), eV:	-9.11(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-amino-2-fluorophenyl)-3-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)(CO)C(C1=NC=CN1C)NCC2=C(C=CC=C2F)F

DOS

IR

Vibrations