Geometry & MOs

Info

ID:	283642
PubChem CID:	103995299
Reduced:	FON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	279.11384
ΔH_f, kcal/mol:	-49.45
Dipole, Da:	2.7
IP(EA), eV:	-9.12(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CC(C)CC1=C(C(=O)N(N1)CC2=CC(=CC=C2)F)N

DOS

IR

Vibrations