Geometry & MOs

Info

ID:	365455
PubChem CID:	127317858
Reduced:	SO2N4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	237.184112
ΔH_f, kcal/mol:	-79.68
Dipole, Da:	1.71
IP(EA), eV:	-9.08(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-3-methyl-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)NCC(=O)N3CCCC3

DOS

IR

Vibrations