Geometry & MOs

Info

ID:	361119
PubChem CID:	127302035
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	-84.95
Dipole, Da:	6.75
IP(EA), eV:	-8.56(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)C2CCN(CC2)C(=O)CCC3=CC=CC=C3)C

DOS

IR

Vibrations