Geometry & MOs

Info

ID:	413100
PubChem CID:	135086044
Reduced:	BrN4O4C22H25 (1)
Stoich.:	AB4C4D22E25 (1)
Weight, g/mol:	218.04399
ΔH_f, kcal/mol:	-63.99
Dipole, Da:	4.01
IP(EA), eV:	-8.8(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C1=CC=C(C=C1)Br)N=NC2=CC=CC=C2)/C(=N/NC(=O)OCC)/C

DOS

IR

Vibrations