Geometry & MOs

Info

ID:	219002
PubChem CID:	85090335
Reduced:	O2N3H21C22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	429.205242
ΔH_f, kcal/mol:	-17.64
Dipole, Da:	8.05
IP(EA), eV:	-8.94(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylmethyl)-3-(4-methoxyphenyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione

Drug info:

PubChemData

Smile

CC(C)CC1=NC2=C(C(=O)C3=CC=CC=C3N2C)C(=O)N1C4=CC=CC=C4

DOS

IR

Vibrations