Geometry & MOs

Info

ID:	372194
PubChem CID:	131294245
Reduced:	ON2H8C11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	203.105862
ΔH_f, kcal/mol:	30.4
Dipole, Da:	2.05
IP(EA), eV:	-9.51(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-aminophenyl)methyl]-5-methyl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=CN=C2C=C1)O)C#N

DOS

IR

Vibrations