Geometry & MOs

Info

ID:	277005
PubChem CID:	103826217
Reduced:	BrON5H10C12 (1)
Stoich.:	ABC5D10E12 (1)
Weight, g/mol:	304.164774
ΔH_f, kcal/mol:	101.19
Dipole, Da:	1.77
IP(EA), eV:	-8.66(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[3-(2H-tetrazol-5-yl)anilino]ethyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NCC2=C(C=CO2)Br)C3=NNN=N3

DOS

IR

Vibrations