Geometry & MOs

Info

ID:	50773
PubChem CID:	12013361
Reduced:	NPO2H26C30 (1)
Stoich.:	ABC2D26E30 (1)
Weight, g/mol:	493.180681
ΔH_f, kcal/mol:	-3.78
Dipole, Da:	4.04
IP(EA), eV:	-8.52(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diphenylphosphorylmethyl)-6,7-dimethoxy-3-(4-methylphenyl)quinoline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(N=C3C=CC(=CC3=C2)OC)CP(=O)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations