Geometry & MOs

Info

ID:	283640
PubChem CID:	103995011
Reduced:	ON3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	4.65
Dipole, Da:	4.81
IP(EA), eV:	-8.6(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)C(=C(N2)C)N

DOS

IR

Vibrations