Geometry & MOs

Info

ID:	128459
PubChem CID:	51045362
Reduced:	N3O5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	293.098669
ΔH_f, kcal/mol:	-176.96
Dipole, Da:	8.81
IP(EA), eV:	-8.24(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-quinazoline-4-thione

Drug info:

PubChemData

Smile

CC1(CC2=C(C(C3=C(N2)N(C(=O)NC3=O)C)C4=C(C=CC(=C4)OC)OC)C(=O)C1)C

DOS

IR

Vibrations