Geometry & MOs

Info

ID:	332896
PubChem CID:	127251320
Reduced:	FON4C18H21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	326.190675
ΔH_f, kcal/mol:	-46.92
Dipole, Da:	7.86
IP(EA), eV:	-9.01(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-(5-fluoropyridin-2-yl)-6-methylpyridin-4-amine

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)C2=NC(=CC(=C2)NC3=NC=C(C=C3)F)C

DOS

IR

Vibrations