Geometry & MOs

Info

ID:	315725
PubChem CID:	126628622
Reduced:	OSN2C18H22 (1)
Stoich.:	ABC2D18E22 (1)
Weight, g/mol:	348.164934
ΔH_f, kcal/mol:	-18.36
Dipole, Da:	2.23
IP(EA), eV:	-8.59(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-difluoropropoxy)-3,5,5,8-tetramethyl-6H-benzo[h]quinazolin-4-one

Drug info:

PubChemData

Smile

CCSC1=NC2=C(C(=N1)OC)C(CC3=C2C=CC(=C3)C)(C)C

DOS

IR

Vibrations