Geometry & MOs

Info

ID:	55090
PubChem CID:	17389753
Reduced:	ON2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	458.070378
ΔH_f, kcal/mol:	-21.71
Dipole, Da:	2.56
IP(EA), eV:	-7.85(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)aniline;oxalic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NCC2CCCN2

DOS

IR

Vibrations