Geometry & MOs

Info

ID:	129930
PubChem CID:	51074297
Reduced:	ON4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	344.184841
ΔH_f, kcal/mol:	27.88
Dipole, Da:	2.63
IP(EA), eV:	-9.57(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-pyrazol-1-ylethanone

Drug info:

PubChemData

Smile

CC(C1=CC=CC=N1)NC(=O)CN2C=CC=N2

DOS

IR

Vibrations