Geometry & MOs

Info

ID:	127390
PubChem CID:	51000780
Reduced:	O2N5C25H25 (1)
Stoich.:	A2B5C25D25 (1)
Weight, g/mol:	445.200156
ΔH_f, kcal/mol:	12.4
Dipole, Da:	2.99
IP(EA), eV:	-8.21(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[[6-(2-hydroxypropan-2-yl)pyridin-3-yl]methyl]benzo[h]quinazolin-4-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC=NC3=C2C=CN3)C4=CC(=CC=C4)NC(=O)[C@H](C5=CC=CC=C5)O

DOS

IR

Vibrations