Geometry & MOs

Info

ID:	55086
PubChem CID:	17389747
Reduced:	ClN2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	260.084704
ΔH_f, kcal/mol:	-0.94
Dipole, Da:	5.06
IP(EA), eV:	-8.22(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-methyl-N-(pyrrolidin-2-ylmethyl)aniline;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NCC2CCCN2

DOS

IR

Vibrations