Geometry & MOs

Info

ID:	364999
PubChem CID:	127316649
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	321.241627
ΔH_f, kcal/mol:	-78.73
Dipole, Da:	5.49
IP(EA), eV:	-8.98(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)CNC(=O)C3C4=CC=CC=C4C(=O)N3C5CC5

DOS

IR

Vibrations