Geometry & MOs

Info

ID:	126721
PubChem CID:	50974864
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	378.241962
ΔH_f, kcal/mol:	-104.2
Dipole, Da:	7.05
IP(EA), eV:	-8.7(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[4-(5-methylpyridin-2-yl)piperidin-4-yl]methyl]piperidin-3-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC(C2=NC3=C(N2)CC(CNC3=O)(C)C)O)C

DOS

IR

Vibrations