Geometry & MOs

Info

ID:	287739
PubChem CID:	104287459
Reduced:	SN2O2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	287.210996
ΔH_f, kcal/mol:	-70.03
Dipole, Da:	5.88
IP(EA), eV:	-8.76(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(1-octyltetrazol-5-yl)aniline

Drug info:

PubChemData

Smile

C1CCC(C1)NC2=NC3=C(S2)CCC3C(=O)O

DOS

IR

Vibrations