Geometry & MOs

Info

ID:	14328
PubChem CID:	409456
Reduced:	ON4C8H12 (1)
Stoich.:	AB4C8D12 (1)
Weight, g/mol:	180.101111
ΔH_f, kcal/mol:	-19.55
Dipole, Da:	9.32
IP(EA), eV:	-9.4(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-diamino-5,6,7,8-tetrahydro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1CC2=C(CC1N)C(=O)N=C(N2)N

DOS

IR

Vibrations