Geometry & MOs

Info

ID:	143777
PubChem CID:	53260769
Reduced:	FN3O3H20C23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	420.135304
ΔH_f, kcal/mol:	-93.67
Dipole, Da:	3.15
IP(EA), eV:	-9.16(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(6-chloropyridin-3-yl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]pyrido[2,3-h]quinazolin-4-one

Drug info:

PubChemData

Smile

C1COC[C@@H]([C@H]1N2C=NC3=C(C2=O)C=C(C4=C3C=CN=C4)CC5=CC(=CC=C5)F)O

DOS

IR

Vibrations