Geometry & MOs

Info

ID:	179556
PubChem CID:	76498631
Reduced:	S2O6C39H64 (1)
Stoich.:	A2B6C39D64 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-360.53
Dipole, Da:	5.11
IP(EA), eV:	-8.42(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methoxy-6,6-dimethyl-4a,5-dihydrobenzo[h]quinazolin-2-one

Drug info:

PubChemData

Smile

CCC1CCC2C1(CCC3C2=CC=C4C3(C(CC(C4)SCCC(CC)(CCOC(=O)C)O)SCCC(CC)(CCOC(=O)C)O)C)C

DOS

IR

Vibrations