Geometry & MOs

Info

ID:	435614
PubChem CID:	135191952
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	420.252526
ΔH_f, kcal/mol:	10.98
Dipole, Da:	5.9
IP(EA), eV:	-9.1(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(E)-1-cyclohexa-2,4-dien-1-ylpropan-2-ylidenehydrazinylidene]-N-[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]hexanamide

Drug info:

PubChemData

Smile

CCC(C)C1=C(C=C(C=C1)C2=CNN=C2)N(C)C=O

DOS

IR

Vibrations