Geometry & MOs

Info

ID:	218994
PubChem CID:	85090317
Reduced:	PSN3C28H32 (1)
Stoich.:	ABC3D28E32 (1)
Weight, g/mol:	413.210327
ΔH_f, kcal/mol:	-6.52
Dipole, Da:	4.82
IP(EA), eV:	-8.45(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylmethyl)-10-methyl-3-(4-methylphenyl)pyrimido[4,5-b]quinoline-4,5-dione

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)P1(=S)N(C2=C(C3=CC=CC=C3C=C2)C4=C(N1C)C=CC5=CC=CC=C54)C

DOS

IR

Vibrations