Geometry & MOs

Info

ID:	25030
PubChem CID:	617292
Reduced:	ON2C19H22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	294.173213
ΔH_f, kcal/mol:	-21.29
Dipole, Da:	7.5
IP(EA), eV:	-9.08(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylspiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one

Drug info:

PubChemData

Smile

CCC1=NC(=O)C2=C(N1)C3=CC=CC=C3CC24CCCCC4

DOS

IR

Vibrations