Geometry & MOs

Info

ID:	244011
PubChem CID:	99309261
Reduced:	FO2N3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	356.164854
ΔH_f, kcal/mol:	-90.58
Dipole, Da:	4.02
IP(EA), eV:	-8.82(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(cyclopropylamino)-N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(=O)NCCNC(=O)CC3=CC=C(C=C3)F

DOS

IR

Vibrations