Geometry & MOs

Info

ID:	353227
PubChem CID:	127284407
Reduced:	O3N5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	377.125467
ΔH_f, kcal/mol:	-72.06
Dipole, Da:	2.55
IP(EA), eV:	-9.58(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)C1=NC=NC=C1C(=O)N2CCN(CC2)C(=O)C3=CNC(=O)C=C3

DOS

IR

Vibrations