Geometry & MOs

Info

ID:	370759
PubChem CID:	127340126
Reduced:	ON4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	375.263425
ΔH_f, kcal/mol:	7.11
Dipole, Da:	3.76
IP(EA), eV:	-8.35(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-methyl-1-oxo-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-2-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N4CCC(CC4)CN5C=CC=N5

DOS

IR

Vibrations