Geometry & MOs

Info

ID:	201283
PubChem CID:	79518256
Reduced:	SN2O2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	277.099731
ΔH_f, kcal/mol:	-64.05
Dipole, Da:	6.59
IP(EA), eV:	-7.91(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-methoxyaniline

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N)SCC(=O)N2CCCC2

DOS

IR

Vibrations