Geometry & MOs

Info

ID:	173297
PubChem CID:	75621085
Reduced:	ClO2N4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	19.07
Dipole, Da:	4.77
IP(EA), eV:	-8.25(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)CC3=NC(=O)C4=CC(C=CC4=N3)Cl

DOS

IR

Vibrations