Geometry & MOs

Info

ID:	398852
PubChem CID:	135035764
Reduced:	SCl2N2H18C19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	279.089543
ΔH_f, kcal/mol:	60.79
Dipole, Da:	3.23
IP(EA), eV:	-9.07(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-5-phenyl-7,8-dihydrobenzo[7]annulen-9-one

Drug info:

PubChemData

Smile

C1CSC(=N1)N[C@H](C/C=C/C2=CC=CC=C2)C3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations