Geometry & MOs

Info

ID:	365021
PubChem CID:	127316671
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	397.149384
ΔH_f, kcal/mol:	-55.1
Dipole, Da:	2.69
IP(EA), eV:	-8.77(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)CN3C=NC4=C(C=CC=C4C3=O)C

DOS

IR

Vibrations