Geometry & MOs

Info

ID:	31754
PubChem CID:	3714087
Reduced:	ClO2N4C26H29 (1)
Stoich.:	AB2C4D26E29 (1)
Weight, g/mol:	448.258674
ΔH_f, kcal/mol:	0.22
Dipole, Da:	6.44
IP(EA), eV:	-8.69(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine

Drug info:

PubChemData

Smile

CC1(CC2CC(C1)(CN2CN3C4=CC=CC=C4C(=C3O)N=NC(=O)C5=CC=C(C=C5)Cl)C)C

DOS

IR

Vibrations