Geometry & MOs

Info

ID:	428619
PubChem CID:	135167799
Reduced:	NOC8H17 (2)
Stoich.:	ABC8D17 (2)
Weight, g/mol:	280.226312
ΔH_f, kcal/mol:	-140.09
Dipole, Da:	3.51
IP(EA), eV:	-8.24(2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-1-[(2R,6S)-2,6-dimethylpiperazin-1-yl]-4-methyl-3-[(2-methylidenehydrazinyl)methylidene]hexan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)N1CCN(CC1)C[C@H](CCOC(C)(C)C)O

DOS

IR

Vibrations