Geometry & MOs

Info

ID:	291897
PubChem CID:	113635235
Reduced:	FON3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	240.158626
ΔH_f, kcal/mol:	-66.55
Dipole, Da:	2.65
IP(EA), eV:	-8.91(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-3-methylpiperazin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1)CC(=O)NC2=CC=CC=C2F

DOS

IR

Vibrations