Geometry & MOs

Info

ID:	365112
PubChem CID:	127316854
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	-103.51
Dipole, Da:	8.92
IP(EA), eV:	-8.64(-0.16)
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)-(1H-pyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CC=C(C=C3)N4CCCS4(=O)=O

DOS

IR

Vibrations