Geometry & MOs

Info

ID:	327823
PubChem CID:	126691116
Reduced:	N6O9H16C20 (1)
Stoich.:	A6B9C16D20 (1)
Weight, g/mol:	459.146203
ΔH_f, kcal/mol:	-19.07
Dipole, Da:	5.36
IP(EA), eV:	-9.6(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[8-chloro-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC[C@H]([C@H](C1)OC(=O)C2=CC(=C(C(=C2)N=O)N)N=O)OC(=O)C3=CC(=C(C(=C3)N=O)N=O)N=O

DOS

IR

Vibrations