Geometry & MOs

Info

ID:	364692
PubChem CID:	127315987
Reduced:	O3N4C20H34 (1)
Stoich.:	A3B4C20D34 (1)
Weight, g/mol:	393.208613
ΔH_f, kcal/mol:	-172.97
Dipole, Da:	7.34
IP(EA), eV:	-8.78(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-ethylpiperidin-1-yl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCCN1CCNC(=O)CN2C(=O)C3(CCC(CC3)C)NC2=O

DOS

IR

Vibrations