Geometry & MOs

Info

ID:	387840
PubChem CID:	134987100
Reduced:	NCl2H9C11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	207.050267
ΔH_f, kcal/mol:	24.16
Dipole, Da:	4.76
IP(EA), eV:	-9.19(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-8-deuterio-6-nitro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCC1=C(N=C(C2=CC=CC=C21)Cl)Cl

DOS

IR

Vibrations