Geometry & MOs

Info

ID:	274324
PubChem CID:	103808554
Reduced:	BrON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	284.05243
ΔH_f, kcal/mol:	1.83
Dipole, Da:	5.77
IP(EA), eV:	-9.28(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(3-bromo-2-methylphenyl)-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C(CN)C2=CC=CC=C2

DOS

IR

Vibrations