Geometry & MOs

Info

ID:	88568
PubChem CID:	49955433
Reduced:	ClOSN5C14H21 (1)
Stoich.:	ABCD5E14F21 (1)
Weight, g/mol:	372.126099
ΔH_f, kcal/mol:	79.42
Dipole, Da:	7.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;chloride

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)CNCCCSC2=NN=NN2C.[Cl-]

DOS

IR

Vibrations