Geometry & MOs

Info

ID:

298150

PubChem CID:

117647764

Reduced:

NH15C19 (3)

Stoich.:

AB15C19 (3)

Weight, g/mol:

329.043041

ΔHf, kcal/mol:

210.7

Dipole, Da:

1.93

IP(EA), eV:

 -7.9(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[3-(trifluoromethyl)phenyl]methoxymethyl]pyridine-2-carbonyl chloride

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC=C5)C6=C1C=C7C8=C(C=C(C=C8)N(C9=CC=CC=C9)C1=CC2=CC=CC=C2C=C1)C(C7=N6)(C)C)C

DOS

IR

Vibrations