Geometry & MOs

Info

ID:	365123
PubChem CID:	127316880
Reduced:	S2N3O3C18H27 (1)
Stoich.:	A2B3C3D18E27 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-101.92
Dipole, Da:	3.86
IP(EA), eV:	-8.65(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations