Geometry & MOs

Info

ID:	6436
PubChem CID:	68617
Reduced:	NCl2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	305.073805
ΔH_f, kcal/mol:	20.55
Dipole, Da:	3.91
IP(EA), eV:	-9.08(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

Drug info:

PubChemData

Smile

CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations