Geometry & MOs

Info

ID:	143779
PubChem CID:	53260771
Reduced:	ON2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	466.211724
ΔH_f, kcal/mol:	-16.79
Dipole, Da:	4.75
IP(EA), eV:	-9.08(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CC2=CC3=C(C4=C2N=CC=C4)N=CN(C3=O)[C@H]5CCCC[C@@H]5O

DOS

IR

Vibrations