Geometry & MOs

Info

ID:	187840
PubChem CID:	77633666
Reduced:	FN2O5C23H25 (1)
Stoich.:	AB2C5D23E25 (1)
Weight, g/mol:	687.330836
ΔH_f, kcal/mol:	-211.08
Dipole, Da:	10.57
IP(EA), eV:	-9.29(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl 2-acetamido-3-[[9-(4-methoxybutyl)xanthen-9-yl]methylcarbamoyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=CC(=NC=C2N1CC3=CC=C(C=C3)F)C(=O)O)COCC4COC(O4)(C)C

DOS

IR

Vibrations