Geometry & MOs

Info

ID:	320604
PubChem CID:	126661987
Reduced:	N2O3C22H32 (1)
Stoich.:	A2B3C22D32 (1)
Weight, g/mol:	403.247107
ΔH_f, kcal/mol:	-115.61
Dipole, Da:	4.55
IP(EA), eV:	-8.49(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydroxypropyl)-4-[5-[(1-methylpiperidin-4-yl)methoxy]pyridin-2-yl]cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CN(CCO)C(=O)[C@@H]1CCC(=CC1)C2=CC=C(C=C2)OCC3CCNCC3

DOS

IR

Vibrations