Geometry & MOs

Info

ID:	221150
PubChem CID:	85257037
Reduced:	NO2F3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	-221.01
Dipole, Da:	1.52
IP(EA), eV:	-9.38(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]pent-4-en-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C(=C(C(F)(F)F)NCC1=CC=CC=C1)C

DOS

IR

Vibrations