Geometry & MOs

Info

ID:

325792

PubChem CID:

126684988

Reduced:

O3N4C39H46 (1)

Stoich.:

A3B4C39D46 (1)

Weight, g/mol:

332.282764

ΔHf, kcal/mol:

-77.22

Dipole, Da:

1.21

IP(EA), eV:

 -8.43(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6Z)-6-[[[(3S)-4-aminohexan-3-yl]amino]methylidene]-2,4-ditert-butylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=C2CCC3=CC(=C(CCC(=C1)C=C2)C=C3)C4=CC5=C(C=C4)N=C(N5)[C@@H]6C[C@@H]7CCCC[C@@H]7N6C(=O)[C@H](C(C)C)NC(=O)OC

DOS

IR

Vibrations