Geometry & MOs

Info

ID:	157678
PubChem CID:	56436430
Reduced:	O4N5C22H27 (1)
Stoich.:	A4B5C22D27 (1)
Weight, g/mol:	441.217618
ΔH_f, kcal/mol:	-105.05
Dipole, Da:	5.26
IP(EA), eV:	-9.58(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)NCC2CCN(CC2)C(=O)CN3C(=O)C4C5CC(C4C3=O)C=C5

DOS

IR

Vibrations