Geometry & MOs

Info

ID:	80639
PubChem CID:	49835691
Reduced:	OC4N4H8 (1)
Stoich.:	AB4C4D8 (1)
Weight, g/mol:	388.064841
ΔH_f, kcal/mol:	13.95
Dipole, Da:	5.33
IP(EA), eV:	-9.79(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R)-1-(4-chlorophenyl)-3-(4-nitroanilino)-3-thiophen-2-ylpropan-1-ol

Drug info:

PubChemData

Smile

C(CC(=O)N)CN=[N+]=[N-]

DOS

IR

Vibrations