Geometry & MOs

Info

ID:	315736
PubChem CID:	126628635
Reduced:	O2N4C31H42 (1)
Stoich.:	A2B4C31D42 (1)
Weight, g/mol:	368.117019
ΔH_f, kcal/mol:	-35.84
Dipole, Da:	4.46
IP(EA), eV:	-7.76(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-5,5,8-trimethyl-2-(2,2,2-trifluoroethylsulfanyl)-6H-benzo[h]quinazoline

Drug info:

PubChemData

Smile

C/C(=C\C=C(/C)\N1CCC(CC1)OC2=CC=CC(=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)/NC

DOS

IR

Vibrations