Geometry & MOs

Info

ID:	249065
PubChem CID:	103086585
Reduced:	SN5C11H17 (1)
Stoich.:	AB5C11D17 (1)
Weight, g/mol:	279.151767
ΔH_f, kcal/mol:	83.68
Dipole, Da:	6.88
IP(EA), eV:	-9.41(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[1-[1-[(4-methylthiophen-3-yl)methyl]tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CN2C(=NN=N2)C(C)NC

DOS

IR

Vibrations