Geometry & MOs

Info

ID:	401507
PubChem CID:	135051479
Reduced:	BrNC17H18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	203.082053
ΔH_f, kcal/mol:	72.68
Dipole, Da:	12.16
IP(EA), eV:	-8.39(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-3-benzoyloxybut-2-ene-2-diazonium

Drug info:

PubChemData

Smile

CC1=CC=CC=[N+]1CC(=C)/C=C/C2=CC=CC=C2.[Br-]

DOS

IR

Vibrations