Geometry & MOs

Info

ID:	23376
PubChem CID:	603239
Reduced:	BrNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	254.98949
ΔH_f, kcal/mol:	3.42
Dipole, Da:	3.53
IP(EA), eV:	-9.01(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-2-nitrosobut-1-en-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations