Geometry & MOs

Info

ID:	444290
PubChem CID:	135261967
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	327.144613
ΔH_f, kcal/mol:	33.51
Dipole, Da:	1.77
IP(EA), eV:	-8.64(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-amino-2-(4-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)N2CCN(CC2)C[C@H]3COC4=CC=CC=C4O3)C5=CC=CC=N5

DOS

IR

Vibrations