Geometry & MOs

Info

ID:	311035
PubChem CID:	126588883
Reduced:	NSO3C21H27 (1)
Stoich.:	ABC3D21E27 (1)
Weight, g/mol:	391.175914
ΔH_f, kcal/mol:	-99.3
Dipole, Da:	2.19
IP(EA), eV:	-8.78(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-cyclopropyl-2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]propanamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2OC)N(C)C(=O)SC)C

DOS

IR

Vibrations