Geometry & MOs

Info

ID:	249071
PubChem CID:	103086625
Reduced:	SN5C13H25 (1)
Stoich.:	AB5C13D25 (1)
Weight, g/mol:	241.136117
ΔH_f, kcal/mol:	35.43
Dipole, Da:	7.74
IP(EA), eV:	-8.95(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[1-(thian-2-ylmethyl)tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C)CNC(C)C1=NN=NN1CC2CCCCS2

DOS

IR

Vibrations