Geometry & MOs

Info

ID:	446435
PubChem CID:	135274944
Reduced:	FON4C16H19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	418.141674
ΔH_f, kcal/mol:	-33.23
Dipole, Da:	2.8
IP(EA), eV:	-9.24(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4R)-4-(3,4-difluorophenyl)pyrrolidin-3-yl]-2,6-difluoro-4-(2-methylpyrazol-3-yl)benzamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2=CC(=C(C=C2)C(=O)NC3CCCNC3)F

DOS

IR

Vibrations