Geometry & MOs

Info

ID:	290402
PubChem CID:	104459108
Reduced:	ClSO2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	259.106925
ΔH_f, kcal/mol:	-81.38
Dipole, Da:	3.72
IP(EA), eV:	-9.19(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N'-(6-nitroquinazolin-4-yl)but-2-ene-1,4-diamine

Drug info:

PubChemData

Smile

COC1CCC(CC1)(C2=CC=C(S2)Cl)O

DOS

IR

Vibrations