Geometry & MOs

Info

ID:	413236
PubChem CID:	135086183
Reduced:	BrO2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	24.45
Dipole, Da:	1.62
IP(EA), eV:	-9.95(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-azido-2-(3-methylphenyl)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CC1(C2=CC(=CC=C2)Br)N=[N+]=[N-]

DOS

IR

Vibrations