Geometry & MOs

Info

ID:	365531
PubChem CID:	127317979
Reduced:	SO2N4C20H32 (1)
Stoich.:	AB2C4D20E32 (1)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	-97.75
Dipole, Da:	3.63
IP(EA), eV:	-9.11(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)NCCC(=O)N3CCCCCC3

DOS

IR

Vibrations