Geometry & MOs

Info

ID:	353766
PubChem CID:	127285343
Reduced:	O2F3N4C19H21 (1)
Stoich.:	A2B3C4D19E21 (1)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	-165.03
Dipole, Da:	4.62
IP(EA), eV:	-9.57(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2CCN(CC2)CC3=NC(=NO3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations