Geometry & MOs

Info

ID:	376630
PubChem CID:	134222651
Reduced:	O2N3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	433.216555
ΔH_f, kcal/mol:	-43.99
Dipole, Da:	5.23
IP(EA), eV:	-8.62(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[4-(5-amino-3-phenylpyridin-2-yl)phenyl]-3-fluorocyclobutyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)C2=C(C=C(C=N2)N)C3=CC=CC=C3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations