Geometry & MOs

Info

ID:	156718
PubChem CID:	56371892
Reduced:	O3N6C26H26 (1)
Stoich.:	A3B6C26D26 (1)
Weight, g/mol:	408.166077
ΔH_f, kcal/mol:	14.82
Dipole, Da:	1.57
IP(EA), eV:	-8.17(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-anilino-3-oxopropyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CN5C=NN=C5C=C4

DOS

IR

Vibrations