Geometry & MOs

Info

ID:	367680
PubChem CID:	127325388
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	-44.41
Dipole, Da:	2.58
IP(EA), eV:	-9.42(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(1-prop-2-enylpiperidin-4-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2C(CCC(=O)N2C)C(=O)N3CCCC(C3)CC4=CC=CC=C4

DOS

IR

Vibrations