Geometry & MOs

Info

ID:	173299
PubChem CID:	75621176
Reduced:	OS2N3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	371.130363
ΔH_f, kcal/mol:	49.43
Dipole, Da:	3.45
IP(EA), eV:	-8.8(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-2-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-6H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1C2=C(CCN1CC3=NC(=O)C4C5=C(CCC5)SC4=N3)SC=C2

DOS

IR

Vibrations