Geometry & MOs

Info

ID:	325982
PubChem CID:	126685893
Reduced:	ON2C9H18 (1)
Stoich.:	AB2C9D18 (1)
Weight, g/mol:	507.180599
ΔH_f, kcal/mol:	-67.62
Dipole, Da:	2.43
IP(EA), eV:	-8.87(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(cyanomethyl)-3-[5-methyl-4-(5-methyl-1H-pyrazol-4-yl)pyrazol-1-yl]azetidin-1-yl]-2,5-difluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCC(=O)NCN1CCCCC1

DOS

IR

Vibrations