Geometry & MOs

Info

ID:	129246
PubChem CID:	51072043
Reduced:	ClIH2N2C6 (1)
Stoich.:	ABC2D2E6 (1)
Weight, g/mol:	358.156039
ΔH_f, kcal/mol:	81.98
Dipole, Da:	2.12
IP(EA), eV:	-10.15(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-piperazin-1-yl-3,4-dihydroquinazolin-2-one;hydrochloride

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1I)Cl)C#N

DOS

IR

Vibrations