Geometry & MOs

Info

ID:	71698
PubChem CID:	48415229
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	401.99959
ΔH_f, kcal/mol:	-0.91
Dipole, Da:	4.9
IP(EA), eV:	-8.91(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(4-chloro-2-iodophenyl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=N1)CCCC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations