Geometry & MOs

Info

ID:	142174
PubChem CID:	52995488
Reduced:	ClN2O2C22H29 (1)
Stoich.:	AB2C2D22E29 (1)
Weight, g/mol:	488.96956
ΔH_f, kcal/mol:	-69.48
Dipole, Da:	5.76
IP(EA), eV:	-8.61(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]quinazolin-4-amine;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CNC2CN3CCC2CC3)OCC4=CC=CC=C4.Cl

DOS

IR

Vibrations