Geometry & MOs

Info

ID:	353204
PubChem CID:	127284384
Reduced:	N2O2C9H11 (2)
Stoich.:	A2B2C9D11 (2)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	-106.15
Dipole, Da:	2.43
IP(EA), eV:	-9.5(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1C(=O)N2CCN(CC2)C(=O)C3=CNC(=O)C=C3)C(C)C

DOS

IR

Vibrations