Geometry & MOs

Info

ID:	309309
PubChem CID:	126544304
Reduced:	O2F3N3H16C23 (1)
Stoich.:	A2B3C3D16E23 (1)
Weight, g/mol:	442.201634
ΔH_f, kcal/mol:	-94.59
Dipole, Da:	4.07
IP(EA), eV:	-9.24(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamoyl]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)C3=NN=C(O3)C(F)(F)F)C4=CC=CC=C4

DOS

IR

Vibrations