Geometry & MOs

Info

ID:

298145

PubChem CID:

117647733

Reduced:

N3H47C61 (1)

Stoich.:

A3B47C61 (1)

Weight, g/mol:

394.150427

ΔHf, kcal/mol:

229.01

Dipole, Da:

3.08

IP(EA), eV:

 -7.95(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(oxolan-3-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]methoxymethyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)C3=CC4=C(C=C3)C=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC=C6)C7=C1C=C8C9=C(C=C(C=C9)N(C1=CC=CC=C1)C1=CC2=CC=CC=C2C=C1)C(C8=N7)(C)C)C

DOS

IR

Vibrations