Geometry & MOs

Info

ID:	150000
PubChem CID:	53789683
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	217.106256
ΔH_f, kcal/mol:	-70.87
Dipole, Da:	2.61
IP(EA), eV:	-9.11(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(hydroxyamino)-5-nitrohex-3-enamide

Drug info:

PubChemData

Smile

CCC1=CC(=C2C(=N1)C=CC=N2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations