Geometry & MOs

Info

ID:	169979
PubChem CID:	75176267
Reduced:	NO2C7H13 (4)
Stoich.:	AB2C7D13 (4)
Weight, g/mol:	239.003532
ΔH_f, kcal/mol:	-415.69
Dipole, Da:	5.46
IP(EA), eV:	-9.02(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(3,4-dichlorophenyl)propan-1-amine;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)CNC.CC(C)(C)OC(=O)N1CCC(CC1)CNC.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations