Geometry & MOs

Info

ID:	166065
PubChem CID:	74632231
Reduced:	OS3N5C21H21 (1)
Stoich.:	AB3C5D21E21 (1)
Weight, g/mol:	405.155178
ΔH_f, kcal/mol:	97.0
Dipole, Da:	2.2
IP(EA), eV:	-8.5(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=NN=C(S2)SCC(=O)C(C#N)C3=NC(=CS3)C4=CC=CC=C4

DOS

IR

Vibrations