Geometry & MOs

Info

ID:	354397
PubChem CID:	127286641
Reduced:	SO2N4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	348.26376
ΔH_f, kcal/mol:	-68.85
Dipole, Da:	0.58
IP(EA), eV:	-9.0(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCCN2C(=O)NCCNC(=O)C3=CC=CS3

DOS

IR

Vibrations