Geometry & MOs

Info

ID:	344220
PubChem CID:	127267396
Reduced:	N2O2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	266.154289
ΔH_f, kcal/mol:	-24.27
Dipole, Da:	4.39
IP(EA), eV:	-9.7(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C=CC(=O)N1CCOC2=C(C1)C=CC=N2

DOS

IR

Vibrations