Geometry & MOs

Info

ID:	435586
PubChem CID:	135191867
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	432.216141
ΔH_f, kcal/mol:	-129.44
Dipole, Da:	1.97
IP(EA), eV:	-9.34(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-2-[(E)-1-phenylpropan-2-ylidenehydrazinylidene]hex-5-enamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1CNC2=CC=CC=C2NC1O

DOS

IR

Vibrations