Geometry & MOs

Info

ID:	124393
PubChem CID:	50881153
Reduced:	ClN3O4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	211.087625
ΔH_f, kcal/mol:	-53.14
Dipole, Da:	7.9
IP(EA), eV:	-9.15(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-pyrrolidin-1-ylbenzene-1,4-diamine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2Cl)[N+](=O)[O-])N3CCOCC3

DOS

IR

Vibrations