Geometry & MOs

Info

ID:	446186
PubChem CID:	135273012
Reduced:	N5C16H17 (1)
Stoich.:	A5B16C17 (1)
Weight, g/mol:	349.063634
ΔH_f, kcal/mol:	106.78
Dipole, Da:	3.83
IP(EA), eV:	-8.13(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino] acetate

Drug info:

PubChemData

Smile

C/C=C/1\C(=C/C)\N=C(C2=C1NN=C2N)NC3=CC=CC=C3

DOS

IR

Vibrations