Geometry & MOs

Info

ID:	365095
PubChem CID:	127316837
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	395.187878
ΔH_f, kcal/mol:	-109.72
Dipole, Da:	3.39
IP(EA), eV:	-8.83(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3CC(=O)N(C3)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations