Geometry & MOs

Info

ID:	74922
PubChem CID:	48422701
Reduced:	BrNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	328.142307
ΔH_f, kcal/mol:	-51.56
Dipole, Da:	5.86
IP(EA), eV:	-9.06(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-(3-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)Br)OCC2CC2

DOS

IR

Vibrations