Geometry & MOs

Info

ID:	396393
PubChem CID:	135028249
Reduced:	NC20H21 (1)
Stoich.:	AB20C21 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	43.04
Dipole, Da:	2.22
IP(EA), eV:	-9.09(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-bis(4-methoxybut-2-ynyl)piperazine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CC2=NC3=CC=CC=C3C=C2

DOS

IR

Vibrations