Geometry & MOs

Info

ID:	216091
PubChem CID:	85085696
Reduced:	OC16H16 (1)
Stoich.:	AB16C16 (1)
Weight, g/mol:	224.152478
ΔH_f, kcal/mol:	4.05
Dipole, Da:	4.85
IP(EA), eV:	-9.47(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6-bis(propan-2-ylamino)hexa-1,5-diene-3,4-dione

Drug info:

PubChemData

Smile

C=CCC12CCC3=CC=CC=C3C1=CC(=O)C2

DOS

IR

Vibrations