Geometry & MOs

Info

ID:	291605
PubChem CID:	113447172
Reduced:	BrClFN2H11C13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	232.168797
ΔH_f, kcal/mol:	3.89
Dipole, Da:	3.62
IP(EA), eV:	-9.7(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1-cyclopropylpyrrolidin-3-yl)amino]methyl]pyridin-3-amine

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)Br)Cl)(C2=C(C=NC=C2)F)N

DOS

IR

Vibrations