Geometry & MOs

Info

ID:	387895
PubChem CID:	134987301
Reduced:	ClC8H11 (1)
Stoich.:	AB8C11 (1)
Weight, g/mol:	152.094963
ΔH_f, kcal/mol:	-13.77
Dipole, Da:	2.04
IP(EA), eV:	-9.44(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpiperazin-1-yl)prop-2-ynal

Drug info:

PubChemData

Smile

C1C[C@H]2CC(=C[C@H]2C1)Cl

DOS

IR

Vibrations