Geometry & MOs

Info

ID:	443945
PubChem CID:	135260694
Reduced:	ClON4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	318.169191
ΔH_f, kcal/mol:	-9.54
Dipole, Da:	8.6
IP(EA), eV:	-9.0(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-2-(5-methyl-1,4-diazepan-1-yl)-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1CCN(CCN1)C2=NC(=O)C3=C(N2)C=CC=C3Cl

DOS

IR

Vibrations