Geometry & MOs

Info

ID:	55085
PubChem CID:	17389746
Reduced:	ClN2O8C16H21 (1)
Stoich.:	AB2C8D16E21 (1)
Weight, g/mol:	224.108026
ΔH_f, kcal/mol:	-331.09
Dipole, Da:	4.9
IP(EA), eV:	-8.65(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methyl-N-(pyrrolidin-2-ylmethyl)aniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations