Geometry & MOs

Info

ID:	88643
PubChem CID:	49955868
Reduced:	ClO2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	386.138378
ΔH_f, kcal/mol:	71.0
Dipole, Da:	9.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750059
Charge, e:	-1

Chem-info

IUPAC name:

N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]prop-2-en-1-amine;chloride

Drug info:

PubChemData

Smile

CCC(C)NCC1=CC(=C(C=C1)OC2=NN=NN2C3=CC=CC=C3)OCC.[Cl-]

DOS

IR

Vibrations