Geometry & MOs

Info

ID:	242564
PubChem CID:	97857377
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	313.15904
ΔH_f, kcal/mol:	-41.61
Dipole, Da:	2.63
IP(EA), eV:	-8.7(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-[[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino]-4-methylbenzamide

Drug info:

PubChemData

Smile

C[C@H]1[C@H](CCO1)NC2=CC(=NN2CCO)C3=CC=CC=C3C

DOS

IR

Vibrations