Geometry & MOs

Info

ID:	397499
PubChem CID:	135030305
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	314.235814
ΔH_f, kcal/mol:	25.17
Dipole, Da:	4.09
IP(EA), eV:	-8.45(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC#CC(C1=CC=C(C=C1)OC)C2=CC=CN2C

DOS

IR

Vibrations