Geometry & MOs

Info

ID:	83919
PubChem CID:	49862544
Reduced:	FON2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	499.269573
ΔH_f, kcal/mol:	-19.04
Dipole, Da:	2.94
IP(EA), eV:	-9.09(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[3-tert-butyl-5-(phenylcarbamoylamino)pyrazol-1-yl]phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)C2=CC(=CC(=C2)C#N)F

DOS

IR

Vibrations