Geometry & MOs

Info

ID:	141105
PubChem CID:	52819223
Reduced:	NOC12H14 (2)
Stoich.:	ABC12D14 (2)
Weight, g/mol:	456.161997
ΔH_f, kcal/mol:	-36.73
Dipole, Da:	4.24
IP(EA), eV:	-8.62(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H]1C(=O)NC2=CC=CC=C2NC34CC5CC(C3)CC(C5)C4)C6=CC=CO6

DOS

IR

Vibrations