Geometry & MOs

Info

ID:	244235
PubChem CID:	99319531
Reduced:	FN3O5C19H20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	413.149932
ΔH_f, kcal/mol:	-143.62
Dipole, Da:	4.61
IP(EA), eV:	-9.77(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-3-(6-nitroindazol-1-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[N+](=O)[O-])OCCC(=O)NCCNC(=O)CC2=CC(=CC=C2)F

DOS

IR

Vibrations