Geometry & MOs

Info

ID:	389719
PubChem CID:	134994624
Reduced:	S2O4C7H10 (1)
Stoich.:	A2B4C7D10 (1)
Weight, g/mol:	200.035255
ΔH_f, kcal/mol:	-183.39
Dipole, Da:	8.06
IP(EA), eV:	-9.9(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-chloro-1-(4-nitrophenyl)ethanamine

Drug info:

PubChemData

Smile

C1CC(SSC(C1)C(=O)O)C(=O)O

DOS

IR

Vibrations