Geometry & MOs

Info

ID:	422652
PubChem CID:	135118195
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	346.200491
ΔH_f, kcal/mol:	-85.6
Dipole, Da:	5.48
IP(EA), eV:	-8.91(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-4-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)N2CC[C@]3(CCCN([C@@H]3C2)C)C(=O)O)C

DOS

IR

Vibrations