Geometry & MOs

Info

ID:	315723
PubChem CID:	126628620
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	300.129634
ΔH_f, kcal/mol:	-31.53
Dipole, Da:	2.55
IP(EA), eV:	-8.79(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanyl-5,5,8-trimethyl-1,6-dihydrobenzo[h]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(C(=O)N(C(=N3)C)C)C(C2)(C)C

DOS

IR

Vibrations