Geometry & MOs

Info

ID:

297771

PubChem CID:

117630033

Reduced:

BrN2C16H18 (2)

Stoich.:

AB2C16D18 (2)

Weight, g/mol:

460.183458

ΔHf, kcal/mol:

151.06

Dipole, Da:

20.85

IP(EA), eV:

 -7.44(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-methyl-3-[[5-(trifluoromethyl)pyridin-2-yl]amino]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)/C=C/C=C/C3=CC=[N+](C=C3)CC4=CC=C(C=C4)N(C)C)C.[Br-].[Br-]

DOS

IR

Vibrations