Geometry & MOs

Info

ID:	195062
PubChem CID:	78628951
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	379.177016
ΔH_f, kcal/mol:	-125.62
Dipole, Da:	3.43
IP(EA), eV:	-9.01(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-cyanophenyl)methyl-[(6,7-dimethoxy-4-oxo-6H-quinazolin-2-yl)methyl]-ethylazanium

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)NC(N2)COC(=O)CCSC3=CC=CC=C3

DOS

IR

Vibrations