Geometry & MOs

Info

ID:	365277
PubChem CID:	127317632
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	329.177313
ΔH_f, kcal/mol:	-56.61
Dipole, Da:	4.72
IP(EA), eV:	-8.57(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)CCNC(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations