Geometry & MOs

Info

ID:	397361
PubChem CID:	135030110
Reduced:	NOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	314.235814
ΔH_f, kcal/mol:	3.03
Dipole, Da:	4.02
IP(EA), eV:	-10.24(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-[1-(4-methoxyphenyl)hept-2-ynyl]piperazine

Drug info:

PubChemData

Smile

C1CCCC(CC1)(C2=CN=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations