Geometry & MOs

Info

ID:

227070

PubChem CID:

87560029

Reduced:

BOPH50C53 (1)

Stoich.:

ABCD50E53 (1)

Weight, g/mol:

449.198238

ΔHf, kcal/mol:

117.22

Dipole, Da:

26.19

IP(EA), eV:

 -7.4(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-chloroprop-2-enyl)-N-[1-(2-methyltetrazol-5-yl)-2-(4-phenylphenyl)ethyl]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CCCCOC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations