Geometry & MOs

Info

ID:	343007
PubChem CID:	127266170
Reduced:	F2N2O3C15H16 (1)
Stoich.:	A2B2C3D15E16 (1)
Weight, g/mol:	304.215078
ΔH_f, kcal/mol:	-121.38
Dipole, Da:	7.53
IP(EA), eV:	-10.1(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-1,2-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC=C(CC1)C(=O)NCC2=CC(=C(C=C2F)F)[N+](=O)[O-]

DOS

IR

Vibrations