Geometry & MOs

Info

ID:	83924
PubChem CID:	49862573
Reduced:	ClNOC8H14 (1)
Stoich.:	ABCD8E14 (1)
Weight, g/mol:	465.254003
ΔH_f, kcal/mol:	-53.58
Dipole, Da:	11.06
IP(EA), eV:	-8.65(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-3-[(3aS,6aR)-5-(pyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

C[N+]12CCC(CC1)C(=O)C2.[Cl-]

DOS

IR

Vibrations