Geometry & MOs

Info

ID:	322250
PubChem CID:	126669539
Reduced:	ClN2O3C26H35 (1)
Stoich.:	AB2C3D26E35 (1)
Weight, g/mol:	503.166805
ΔH_f, kcal/mol:	-98.52
Dipole, Da:	4.61
IP(EA), eV:	-8.66(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[[[3-(hydroxymethyl)-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)N2CC(=C(OCC2CC3=CC=C(C=C3)Cl)C=C)C=C

DOS

IR

Vibrations