Geometry & MOs

Info

ID:	40372
PubChem CID:	8144008
Reduced:	ClO2N3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	363.20323
ΔH_f, kcal/mol:	-3.68
Dipole, Da:	4.33
IP(EA), eV:	-8.59(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(diethylamino)-2-oxoethyl]-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-methylazanium

Drug info:

PubChemData

Smile

C1CN(CCN1CN2C3=C(C=C(C=C3)Cl)C(=O)C2=O)C4=CC=CC=C4

DOS

IR

Vibrations