Geometry & MOs

Info

ID:	218995
PubChem CID:	85090318
Reduced:	O2N3C26H27 (1)
Stoich.:	A2B3C26D27 (1)
Weight, g/mol:	401.173942
ΔH_f, kcal/mol:	-33.11
Dipole, Da:	8.05
IP(EA), eV:	-8.89(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4N3C)CC5CCCCC5

DOS

IR

Vibrations