Geometry & MOs

Info

ID:	421472
PubChem CID:	135116064
Reduced:	ON6C21H26 (1)
Stoich.:	AB6C21D26 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	24.89
Dipole, Da:	1.89
IP(EA), eV:	-8.43(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC(=C1)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4)N

DOS

IR

Vibrations