Geometry & MOs

Info

ID:	306254
PubChem CID:	125003340
Reduced:	ClN2O3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	-99.4
Dipole, Da:	6.87
IP(EA), eV:	-9.31(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[[1-[(2S)-1-methylpyrrolidine-2-carbonyl]piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)[C@@H](CN2C=C(C=CC2=O)C(=O)O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations