Geometry & MOs

Info

ID:	18025
PubChem CID:	534284
Reduced:	SN2C19H22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	310.15037
ΔH_f, kcal/mol:	28.26
Dipole, Da:	1.4
IP(EA), eV:	-9.04(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-thiol

Drug info:

PubChemData

Smile

CCC1=NC2=C(C(=N1)S)C3(CCCCC3)CC4=CC=CC=C42

DOS

IR

Vibrations