Geometry & MOs

Info

ID:	290758
PubChem CID:	110067587
Reduced:	O3N5C31H35 (1)
Stoich.:	A3B5C31D35 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-42.62
Dipole, Da:	6.81
IP(EA), eV:	-8.98(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-hydroxy-4-[(2-pyrazin-2-ylpyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N2)CNC(=O)C3=CC4=C(CN(CC(=O)NCCCCCO4)CC5=CC=CC=C5)C=C3

DOS

IR

Vibrations