Geometry & MOs

Info

ID:	387830
PubChem CID:	134987077
Reduced:	N2H5C7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	178.082364
ΔH_f, kcal/mol:	125.25
Dipole, Da:	2.49
IP(EA), eV:	-9.59(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-diamino-5,8-dideuterio-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=CC(=C2)C3=NC=NC=C3

DOS

IR

Vibrations