Geometry & MOs

Info

ID:	369043
PubChem CID:	127331165
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	388.222289
ΔH_f, kcal/mol:	-24.23
Dipole, Da:	2.83
IP(EA), eV:	-8.58(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2CCC(C2=O)NC(=O)N3CCCC4=CC=CC=C4C3

DOS

IR

Vibrations