Geometry & MOs

Info

ID:	365235
PubChem CID:	127317083
Reduced:	SN3O3C20H35 (1)
Stoich.:	AB3C3D20E35 (1)
Weight, g/mol:	336.252526
ΔH_f, kcal/mol:	-154.53
Dipole, Da:	8.38
IP(EA), eV:	-8.69(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[(2-methylcyclohexyl)carbamoyl]acetamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1CC(=O)N(C3CCCCC3)C4CCS(=O)(=O)C4

DOS

IR

Vibrations