Geometry & MOs

Info

ID:	25589
PubChem CID:	627019
Reduced:	OC7H10 (3)
Stoich.:	AB7C10 (3)
Weight, g/mol:	299.072848
ΔH_f, kcal/mol:	-139.38
Dipole, Da:	3.55
IP(EA), eV:	-9.47(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(dimethylamino)phenyl]sulfanyl-2-nitrobenzonitrile

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2C1(CCC3C2CC4C56C3(CCC5C6)CO4)C

DOS

IR

Vibrations