Geometry & MOs

Info

ID:	77839
PubChem CID:	49661712
Reduced:	OSF3N5H14C17 (1)
Stoich.:	ABC3D5E14F17 (1)
Weight, g/mol:	384.135304
ΔH_f, kcal/mol:	-105.2
Dipole, Da:	6.33
IP(EA), eV:	-9.95(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-chlorophenyl)-3-(dimethylamino)pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=NC=C2C(=N1)N=CN=C2SCC(=O)NCC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations