Geometry & MOs

Info

ID:	146261
PubChem CID:	53660653
Reduced:	FNO4H30C34 (1)
Stoich.:	ABC4D30E34 (1)
Weight, g/mol:	421.227789
ΔH_f, kcal/mol:	-110.69
Dipole, Da:	3.01
IP(EA), eV:	-8.94(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-[2-[4-(2-fluorophenyl)phenyl]propan-2-yl]-1,2-oxazol-5-yl]-4-methylpiperazine-1-carboximidamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C2C(=C1)C(C(C(O2)(C)C)O)N(C3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4)C=CC5=CC=CC=C5

DOS

IR

Vibrations