Geometry & MOs

Info

ID:	245234
PubChem CID:	99437993
Reduced:	FO4N5C21H26 (1)
Stoich.:	AB4C5D21E26 (1)
Weight, g/mol:	444.228517
ΔH_f, kcal/mol:	-173.37
Dipole, Da:	5.8
IP(EA), eV:	-9.04(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-[(3R)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C(=O)CNC(=O)NCC2=CC=CO2)CNC(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations