Geometry & MOs

Info

ID:	365075
PubChem CID:	127316817
Reduced:	ON3C8H11 (2)
Stoich.:	AB3C8D11 (2)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-26.33
Dipole, Da:	1.34
IP(EA), eV:	-8.81(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(benzenesulfonyl)piperidin-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)CN3C=NC4=C(C3=O)C=NN4C

DOS

IR

Vibrations