Geometry & MOs

Info

ID:	291900
PubChem CID:	113635238
Reduced:	O2N3C12H23 (1)
Stoich.:	A2B3C12D23 (1)
Weight, g/mol:	256.189926
ΔH_f, kcal/mol:	-98.03
Dipole, Da:	3.22
IP(EA), eV:	-8.96(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1)CC(=O)NCC2CCCO2

DOS

IR

Vibrations