Geometry & MOs

Info

ID:	285042
PubChem CID:	104092712
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	208.121178
ΔH_f, kcal/mol:	22.35
Dipole, Da:	7.07
IP(EA), eV:	-9.53(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-pent-4-ynylpiperazine-2,3-dione

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)[N+](=O)[O-])OCCCC#C

DOS

IR

Vibrations