Geometry & MOs

Info

ID:	176326
PubChem CID:	76034526
Reduced:	N2O4C24H31 (1)
Stoich.:	A2B4C24D31 (1)
Weight, g/mol:	364.166117
ΔH_f, kcal/mol:	-121.14
Dipole, Da:	4.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.811762
Charge, e:	1

Chem-info

IUPAC name:

1,3,8,8-tetramethyl-5-phenyl-7,10-dihydro-5aH-pyrimido[4,5-b]quinolin-1-ium-2,4,6-trione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C3=C(C(=O)N2CC[NH+]4CCOCC4)OC5CCCCC5C3=O

DOS

IR

Vibrations