Geometry & MOs

Info

ID:	183473
PubChem CID:	77026802
Reduced:	ClO2N3C11H16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	272.184841
ΔH_f, kcal/mol:	-40.96
Dipole, Da:	2.39
IP(EA), eV:	-8.3(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(4-amino-4-hydroxyiminobutyl)amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC)NC(C)C(=NO)N

DOS

IR

Vibrations