Geometry & MOs

Info

ID:	249137
PubChem CID:	103087103
Reduced:	N7C11H19 (1)
Stoich.:	A7B11C19 (1)
Weight, g/mol:	213.104817
ΔH_f, kcal/mol:	98.08
Dipole, Da:	8.3
IP(EA), eV:	-9.42(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[1-(thiolan-3-yl)tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CCCNC(C)C1=NN=NN1C2=CN(N=C2C)C

DOS

IR

Vibrations