Geometry & MOs

Info

ID:	156165
PubChem CID:	56369388
Reduced:	N2O4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	438.213027
ΔH_f, kcal/mol:	-97.21
Dipole, Da:	7.75
IP(EA), eV:	-9.06(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[ethyl(propan-2-yl)amino]methyl]-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)N2CCCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=CC=CC=C4)O

DOS

IR

Vibrations