Geometry & MOs

Info

ID:	248914
PubChem CID:	103085503
Reduced:	SN5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	263.138225
ΔH_f, kcal/mol:	74.41
Dipole, Da:	5.38
IP(EA), eV:	-9.26(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C)CNC(C)C1=NN=NN1C(C)C2=CC=CS2

DOS

IR

Vibrations