Geometry & MOs

Info

ID:	320263
PubChem CID:	126659078
Reduced:	NH13C19 (2)
Stoich.:	AB13C19 (2)
Weight, g/mol:	418.200491
ΔH_f, kcal/mol:	178.35
Dipole, Da:	2.15
IP(EA), eV:	-8.18(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-carbamoyl-4-[[(3R,4R)-4-phenylpiperidin-3-yl]amino]quinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1C=C(C=CN1)C2=CC3=C(C=C(C4=CC5=C(C=C43)C6=CC=CC7=C6C5=CC=C7)C8=CCNC=C8)C9=CC=CC=C92

DOS

IR

Vibrations