Geometry & MOs

Info

ID:

186521

PubChem CID:

77442108

Reduced:

N3O3H33C38 (1)

Stoich.:

A3B3C33D38 (1)

Weight, g/mol:

348.148535

ΔHf, kcal/mol:

40.64

Dipole, Da:

1.52

IP(EA), eV:

 -8.06(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(5-fluorocyclohexa-2,4-dien-1-yl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N=C2N(C(=O)C(=CC3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC=C5)O2)CCC6=CC=C(C=C6)OC

DOS

IR

Vibrations