Geometry & MOs

Info

ID:	143778
PubChem CID:	53260770
Reduced:	ClO2N4H21C23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	400.189926
ΔH_f, kcal/mol:	-14.6
Dipole, Da:	7.77
IP(EA), eV:	-9.17(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)N2C=NC3=C(C2=O)C=C(C4=C3C=CC=N4)CC5=CN=C(C=C5)Cl)O

DOS

IR

Vibrations