Geometry & MOs

Info

ID:	249730
PubChem CID:	103091664
Reduced:	BrN2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	298.10842
ΔH_f, kcal/mol:	32.45
Dipole, Da:	1.9
IP(EA), eV:	-9.57(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-3-amino-2-methylbut-1-enyl]-2-chloro-6-methoxyphenoxy]acetamide

Drug info:

PubChemData

Smile

CC(/C(=C/C1=CC(=CN=C1)Br)/C)N

DOS

IR

Vibrations