Geometry & MOs

Info

ID:	356062
PubChem CID:	127291098
Reduced:	O3N4C14H24 (1)
Stoich.:	A3B4C14D24 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-142.73
Dipole, Da:	4.47
IP(EA), eV:	-9.35(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-3-yl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)N2CCC(CC2)N3CCNC3=O

DOS

IR

Vibrations