Geometry & MOs

Info

ID:	55126
PubChem CID:	17389796
Reduced:	NO3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	390.082993
ΔH_f, kcal/mol:	-107.36
Dipole, Da:	2.5
IP(EA), eV:	-8.73(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(CO)N)OC

DOS

IR

Vibrations