Geometry & MOs

Info

ID:	126785
PubChem CID:	50978464
Reduced:	ON2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	376.226312
ΔH_f, kcal/mol:	48.14
Dipole, Da:	9.61
IP(EA), eV:	-7.56(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-4-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CCOC1=C/C(=C/2\NC=CN2C3=CC4=C(C=C3)C=NN4)/C=CC1=O

DOS

IR

Vibrations