Geometry & MOs

Info

ID:	359731
PubChem CID:	127299113
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	393.241627
ΔH_f, kcal/mol:	-30.32
Dipole, Da:	5.15
IP(EA), eV:	-8.3(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)N2CCC(C2)NC3=CC=CC=C3)C(=O)C4=CC=CS4

DOS

IR

Vibrations