Geometry & MOs

Info

ID:	365038
PubChem CID:	127316688
Reduced:	ON5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	29.86
Dipole, Da:	5.11
IP(EA), eV:	-8.79(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(benzenesulfonyl)piperidin-3-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=CN(N=C3C4=CC(=C(C=C4)C)C)CCC#N

DOS

IR

Vibrations