Geometry & MOs

Info

ID:	23686
PubChem CID:	605384
Reduced:	ON5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	363.20591
ΔH_f, kcal/mol:	64.75
Dipole, Da:	5.53
IP(EA), eV:	-8.44(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-2-methoxyaniline

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N2C(=NN=N2)C3(CCCC3)NC4=CC=CC=C4OC

DOS

IR

Vibrations