Geometry & MOs

Info

ID:	283639
PubChem CID:	103994960
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	-13.23
Dipole, Da:	4.06
IP(EA), eV:	-8.33(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=O)C(=C(N2)C(C)(C)C)N

DOS

IR

Vibrations