Geometry & MOs

Info

ID:	347596
PubChem CID:	127272451
Reduced:	O3N4C16H22 (1)
Stoich.:	A3B4C16D22 (1)
Weight, g/mol:	398.206639
ΔH_f, kcal/mol:	-96.24
Dipole, Da:	3.73
IP(EA), eV:	-9.17(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-4-(morpholine-4-carbonyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCOCC2)C(=O)NC3=CC=CC=N3

DOS

IR

Vibrations