Geometry & MOs

Info

ID:	176428
PubChem CID:	76048194
Reduced:	N3C29H39 (1)
Stoich.:	A3B29C39 (1)
Weight, g/mol:	478.262028
ΔH_f, kcal/mol:	85.18
Dipole, Da:	4.96
IP(EA), eV:	-8.25(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-benzyl-7-methoxy-1-methyl-3-phenyl-3,4-dihydro-2H-quinolin-4-yl)-3-methoxy-N-methylaniline

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CN(N=N2)C3CCC4C3(CCC5C4CCC6C5(CC=CC6)C)C

DOS

IR

Vibrations