Geometry & MOs

Info

ID:	192707
PubChem CID:	78303276
Reduced:	O4N6C15H20 (1)
Stoich.:	A4B6C15D20 (1)
Weight, g/mol:	444.160456
ΔH_f, kcal/mol:	-74.76
Dipole, Da:	4.85
IP(EA), eV:	-8.76(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-phenyl-3-(3-quinolin-6-ylprop-2-enoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1COCCN1C2NC(NC(=O)N2)NN=CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations