Geometry & MOs

Info

ID:	76246
PubChem CID:	48424661
Reduced:	BrNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	348.128549
ΔH_f, kcal/mol:	-98.48
Dipole, Da:	2.98
IP(EA), eV:	-9.09(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-(3,4-difluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCOC2=C1C=C(C=C2)Br)OCC3CC3

DOS

IR

Vibrations