Geometry & MOs

Info

ID:	127391
PubChem CID:	51000781
Reduced:	N3O4C26H27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	471.215806
ΔH_f, kcal/mol:	-111.44
Dipole, Da:	2.61
IP(EA), eV:	-8.93(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R,4S)-3-hydroxyoxan-4-yl]-6-[(4-morpholin-4-ylphenyl)methyl]benzo[h]quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)(C1=NC=C(C=C1)CC2=CC3=C(C4=CC=CC=C42)N=CN(C3=O)[C@H]5CCOC[C@@H]5O)O

DOS

IR

Vibrations