Geometry & MOs

Info

ID:	414100
PubChem CID:	135087054
Reduced:	BrN2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	218.04399
ΔH_f, kcal/mol:	46.22
Dipole, Da:	6.49
IP(EA), eV:	-9.22(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-azido-3-(4-nitrophenyl)prop-2-enal

Drug info:

PubChemData

Smile

CCCC(=C(C#N)C1=CC=C(C=C1)Br)N

DOS

IR

Vibrations