Geometry & MOs

Info

ID:

37089

PubChem CID:

8016790

Reduced:

N2O4H17C24 (1)

Stoich.:

A2B4C17D24 (1)

Weight, g/mol:

394.111756

ΔHf, kcal/mol:

-42.29

Dipole, Da:

1.92

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.209126

Charge, e:

 0

Chem-info

IUPAC name:

5-[(2-fluorophenyl)methoxy]-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one

Drug info:

PubChemData

Smile

CC(=C)CC1=C(C=CC2=C1C3=C4N2C(=O)C5=CC=CC=C5C4=NC=C3)OCC(=O)[O-]

DOS

IR

Vibrations