Geometry & MOs

Info

ID:	24181
PubChem CID:	608294
Reduced:	BrNOC8H8 (1)
Stoich.:	ABCD8E8 (1)
Weight, g/mol:	212.97893
ΔH_f, kcal/mol:	-20.87
Dipole, Da:	1.76
IP(EA), eV:	-8.84(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-4-bromophenyl)ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)Br)N

DOS

IR

Vibrations