Geometry & MOs

Info

ID:	341784
PubChem CID:	127264477
Reduced:	F3O4N7C26H28 (1)
Stoich.:	A3B4C7D26E28 (1)
Weight, g/mol:	444.204907
ΔH_f, kcal/mol:	-205.37
Dipole, Da:	8.45
IP(EA), eV:	-8.6(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[(2S)-1-[4-(hydroxymethyl)anilino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4)C)OC.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations