Geometry & MOs

Info

ID:	365225
PubChem CID:	127317073
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	399.219178
ΔH_f, kcal/mol:	50.04
Dipole, Da:	4.9
IP(EA), eV:	-8.68(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1CC3=NN=C(O3)C4=C(ON=C4C5=CC=CC=C5)C

DOS

IR

Vibrations