Geometry & MOs

Info

ID:	128761
PubChem CID:	51057265
Reduced:	N3O8C21H25 (1)
Stoich.:	A3B8C21D25 (1)
Weight, g/mol:	392.129156
ΔH_f, kcal/mol:	-277.34
Dipole, Da:	4.46
IP(EA), eV:	-8.73(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(3-chlorophenyl)furan-2-yl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC(=CC2=O)C(=O)NCCN3CCOCC3.C(=C\C(=O)O)\C(=O)O

DOS

IR

Vibrations