Geometry & MOs

Info

ID:	208535
PubChem CID:	80540838
Reduced:	BrN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	266.174276
ΔH_f, kcal/mol:	-124.53
Dipole, Da:	4.39
IP(EA), eV:	-9.62(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(1-ethylcyclopentyl)tetrazol-1-yl]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CCNC(=O)N(C)CC1=CC=CC=C1Br)C(=O)O

DOS

IR

Vibrations