Geometry & MOs

Info

ID:	365084
PubChem CID:	127316826
Reduced:	O2N6C17H22 (1)
Stoich.:	A2B6C17D22 (1)
Weight, g/mol:	284.075012
ΔH_f, kcal/mol:	-1.29
Dipole, Da:	3.81
IP(EA), eV:	-8.75(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=C(N(N=C3)C4=NNC(=O)C=C4)C

DOS

IR

Vibrations