Geometry & MOs

Info

ID:	271301
PubChem CID:	103654285
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	358.05421
ΔH_f, kcal/mol:	-86.96
Dipole, Da:	1.86
IP(EA), eV:	-8.99(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylpiperazin-1-yl)-(2-iodo-3-methylphenyl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCNC(=O)C2(CCOCC2)C#N

DOS

IR

Vibrations