Geometry & MOs

Info

ID:	130765
PubChem CID:	51102378
Reduced:	BrO2N3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	315.096754
ΔH_f, kcal/mol:	26.23
Dipole, Da:	3.74
IP(EA), eV:	-9.8(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[2-(1,3-dioxoisoindol-2-yl)ethyl]tetrazol-5-yl]acetate

Drug info:

PubChemData

Smile

CC1=NOC(=N1)NC(=O)C2CC2C3=CC=C(C=C3)Br

DOS

IR

Vibrations