Geometry & MOs

Info

ID:	394708
PubChem CID:	135023589
Reduced:	NOH23C29 (1)
Stoich.:	ABC23D29 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	72.74
Dipole, Da:	2.64
IP(EA), eV:	-8.51(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-4-(3-methyl-4-oxo-1,2-dihydroquinazolin-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CC3=C(C4=CC=CC=C4C=C3)C5=C(C2)C=CC6=CC=CC=C65

DOS

IR

Vibrations