Geometry & MOs

Info

ID:	372197
PubChem CID:	131294296
Reduced:	ON3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	203.105862
ΔH_f, kcal/mol:	20.31
Dipole, Da:	5.59
IP(EA), eV:	-9.01(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-[(2-methylphenyl)methyl]-1,4-dihydropyrazol-5-one

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CC2=CC=C(N2C)C=O

DOS

IR

Vibrations