Geometry & MOs

Info

ID:	310808
PubChem CID:	126587622
Reduced:	BrNO2C19H22 (1)
Stoich.:	ABC2D19E22 (1)
Weight, g/mol:	347.169685
ΔH_f, kcal/mol:	-64.14
Dipole, Da:	4.11
IP(EA), eV:	-8.44(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(difluoromethyl)-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=C(C=C2)Br)NC(=O)CC)C

DOS

IR

Vibrations