Geometry & MOs

Info

ID:	373880
PubChem CID:	131320975
Reduced:	O2N3C8H9 (1)
Stoich.:	A2B3C8D9 (1)
Weight, g/mol:	204.020274
ΔH_f, kcal/mol:	6.22
Dipole, Da:	3.39
IP(EA), eV:	-9.67(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-8-chloroquinazoline-4-carbonitrile

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(O1)CNC(C2)C#N

DOS

IR

Vibrations