Geometry & MOs

Info

ID:	365035
PubChem CID:	127316685
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	-123.04
Dipole, Da:	5.38
IP(EA), eV:	-8.83(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)CCNS(=O)(=O)C3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations