Geometry & MOs

Info

ID:

227946

PubChem CID:

87563107

Reduced:

O4N8C65H74 (1)

Stoich.:

A4B8C65D74 (1)

Weight, g/mol:

292.091101

ΔHf, kcal/mol:

-39.47

Dipole, Da:

2.44

IP(EA), eV:

 -8.71(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,6-difluorophenyl)-2-(3,5-dimethoxyphenyl)acetaldehyde

Drug info:

PubChemData

Smile

C1CN(C(=O)[C@@H](N[C@H]1CNC(=O)CC2=CC3=CC=CC=C3C=C2)CCCCN)CC4=CC5=CC=CC=C5C=C4.C1CN(C(=O)[C@@H](N[C@H]1CNC(=O)C2=CC3=CC=CC=C3C=C2)CCCCN)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations