Geometry & MOs

Info

ID:	397501
PubChem CID:	135030307
Reduced:	NOC23H25 (1)
Stoich.:	ABC23D25 (1)
Weight, g/mol:	344.246378
ΔH_f, kcal/mol:	41.51
Dipole, Da:	1.31
IP(EA), eV:	-7.99(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3,4-dimethoxyphenyl)hept-2-ynyl]-4-ethylpiperazine

Drug info:

PubChemData

Smile

CCCCC#CC(C1=CC=CC=C1OC)C2=CN(C3=CC=CC=C32)C

DOS

IR

Vibrations