Geometry & MOs

Info

ID:	247157
PubChem CID:	103068270
Reduced:	OSN3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	281.167417
ΔH_f, kcal/mol:	39.44
Dipole, Da:	4.15
IP(EA), eV:	-8.49(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-propan-2-ylprop-2-en-1-amine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(N2)SCC(=C)CNC3CC3

DOS

IR

Vibrations