Geometry & MOs

Info

ID:	345479
PubChem CID:	127269779
Reduced:	N3O4C20H31 (1)
Stoich.:	A3B4C20D31 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-207.07
Dipole, Da:	3.93
IP(EA), eV:	-9.93(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-one

Drug info:

PubChemData

Smile

CCC(C)(C)C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCC(=O)CC3

DOS

IR

Vibrations