Geometry & MOs

Info

ID:	157601
PubChem CID:	56435978
Reduced:	N3O3C27H35 (1)
Stoich.:	A3B3C27D35 (1)
Weight, g/mol:	406.186813
ΔH_f, kcal/mol:	-123.69
Dipole, Da:	7.48
IP(EA), eV:	-8.98(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[2-oxo-1-phenyl-2-[2-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]butanamide

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C2=CC(=C(C=C2)NC(=O)C(C3=CC=CC=C3)NC(=O)CC(C)C)C

DOS

IR

Vibrations