Geometry & MOs

Info

ID:	156006
PubChem CID:	56368738
Reduced:	OSN4C20H24 (1)
Stoich.:	ABC4D20E24 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	43.93
Dipole, Da:	3.59
IP(EA), eV:	-8.8(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethoxypiperidin-1-yl)-[1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(C=C1)C(=O)NC2=NNC(=C2)C3=CC=CS3)C(C)C

DOS

IR

Vibrations