Geometry & MOs

Info

ID:	144308
PubChem CID:	53347377
Reduced:	BrClNO3C17H26 (1)
Stoich.:	ABCD3E17F26 (1)
Weight, g/mol:	433.175491
ΔH_f, kcal/mol:	-132.74
Dipole, Da:	3.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754976
Charge, e:	-1

Chem-info

IUPAC name:

1-[(2,5-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-methylpiperazine;chloride

Drug info:

PubChemData

Smile

C1CCC(CC1)NCC(COCCOC2=CC=C(C=C2)Br)O.[Cl-]

DOS

IR

Vibrations