Geometry & MOs

Info

ID:	333494
PubChem CID:	127252046
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-98.05
Dipole, Da:	2.92
IP(EA), eV:	-9.35(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[6-(1H-pyrazol-4-yl)pyridin-3-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)C(=O)N2CCCCC2C3=CN=C(C=C3)C4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations