Geometry & MOs

Info

ID:	374693
PubChem CID:	131342471
Reduced:	BrNH4O5C7 (1)
Stoich.:	ABC4D5E7 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	-105.63
Dipole, Da:	2.21
IP(EA), eV:	-10.26(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-methyl-3-oxoprop-1-enyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1Br)[N+](=O)[O-])O)C(=O)O

DOS

IR

Vibrations