Geometry & MOs

Info

ID:	365234
PubChem CID:	127317082
Reduced:	ClON5C20H26 (1)
Stoich.:	ABC5D20E26 (1)
Weight, g/mol:	397.239913
ΔH_f, kcal/mol:	14.79
Dipole, Da:	5.43
IP(EA), eV:	-8.73(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1CC(=O)NC3=CC=NN3CC4=CC=CC=C4Cl

DOS

IR

Vibrations