Geometry & MOs

Info

ID:	270607
PubChem CID:	103637298
Reduced:	OCl2N2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-47.44
Dipole, Da:	4.78
IP(EA), eV:	-8.81(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrrolidin-2-yl)-N-[(2-nitrophenyl)methyl]methanamine

Drug info:

PubChemData

Smile

CN1CCCC1CNCC2=C(C(=CC(=C2)Cl)Cl)O

DOS

IR

Vibrations