Geometry & MOs

Info

ID:	48351
PubChem CID:	10539092
Reduced:	SO2N3C11H19 (1)
Stoich.:	AB2C3D11E19 (1)
Weight, g/mol:	257.097127
ΔH_f, kcal/mol:	-61.7
Dipole, Da:	7.86
IP(EA), eV:	-9.07(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CCN)CCN

DOS

IR

Vibrations