Geometry & MOs

Info

ID:	40805
PubChem CID:	8144728
Reduced:	ClN2O2C21H22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	307.14063
ΔH_f, kcal/mol:	-19.75
Dipole, Da:	8.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.804714
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C4=C(C=C(C=C4)Cl)C(=O)C3=O

DOS

IR

Vibrations