Geometry & MOs

Info

ID:	37286
PubChem CID:	8019144
Reduced:	NO3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	299.0759
ΔH_f, kcal/mol:	-80.78
Dipole, Da:	1.57
IP(EA), eV:	-8.64(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(2-bromoanilino)-2-oxoethyl]-(2-methylbutan-2-yl)azanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3CCC3

DOS

IR

Vibrations