Geometry & MOs

Info

ID:	279002
PubChem CID:	103840440
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	268.139862
ΔH_f, kcal/mol:	15.13
Dipole, Da:	6.56
IP(EA), eV:	-9.37(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1CC(CN1C(=O)C2=NC3=CC=CC=C3N=C2)CN

DOS

IR

Vibrations