Geometry & MOs

Info

ID:	394172
PubChem CID:	135022449
Reduced:	O5C27H30 (1)
Stoich.:	A5B27C30 (1)
Weight, g/mol:	274.110613
ΔH_f, kcal/mol:	-148.42
Dipole, Da:	3.53
IP(EA), eV:	-9.37(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-5,6-dihydro-1H-benzo[h]quinazolin-4-one

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](C(O[C@H]1O)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations