Geometry & MOs

Info

ID:	315724
PubChem CID:	126628621
Reduced:	OSN2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	314.145285
ΔH_f, kcal/mol:	-22.49
Dipole, Da:	6.48
IP(EA), eV:	-9.0(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanyl-4-methoxy-5,5,8-trimethyl-6H-benzo[h]quinazoline

Drug info:

PubChemData

Smile

CCSC1=NC(=O)C2=C(N1)C3=C(CC2(C)C)C=C(C=C3)C

DOS

IR

Vibrations