Geometry & MOs

Info

ID:	283643
PubChem CID:	103995306
Reduced:	ClON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	265.09819
ΔH_f, kcal/mol:	-11.11
Dipole, Da:	5.15
IP(EA), eV:	-8.54(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations