Geometry & MOs

Info

ID:	324858
PubChem CID:	126678484
Reduced:	FO5N6C29H43 (1)
Stoich.:	AB5C6D29E43 (1)
Weight, g/mol:	297.205242
ΔH_f, kcal/mol:	-255.27
Dipole, Da:	4.1
IP(EA), eV:	-9.39(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(hydroxyamino)ethyl]-N-[2-[(3Z)-penta-1,3-dien-2-yl]oxyethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@H](C(=O)N2CCCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)CF)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations