Geometry & MOs

Info

ID:	271114
PubChem CID:	103643679
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	288.144948
ΔH_f, kcal/mol:	-45.15
Dipole, Da:	2.29
IP(EA), eV:	-9.19(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrrolidin-1-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C#N)N2CCCC(C2)OC

DOS

IR

Vibrations