Geometry & MOs

Info

ID:

231339

PubChem CID:

87573503

Reduced:

N5F6O7H33C34 (1)

Stoich.:

A5B6C7D33E34 (1)

Weight, g/mol:

591.224436

ΔHf, kcal/mol:

-474.91

Dipole, Da:

4.72

IP(EA), eV:

 -9.69(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[5-(difluoromethyl)-2-(1-methoxycycloheptyl)phenyl]methyl]-2-methyltetrazol-5-amine

Drug info:

PubChemData

Smile

C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N.C1=CC=C(C=C1)CO[C@H]([C@H](C(=O)O)OCC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations