Geometry & MOs

Info

ID:	149349
PubChem CID:	53789021
Reduced:	ClNP2O7C9H14 (1)
Stoich.:	ABC2D7E9F14 (1)
Weight, g/mol:	316.133554
ΔH_f, kcal/mol:	-400.6
Dipole, Da:	4.32
IP(EA), eV:	-9.62(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-fluoro-3-methoxycyclohexyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1,4,8,10,12-pentaen-7-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(CN)C(O)(P(=O)(O)O)P(=O)(O)O)Cl

DOS

IR

Vibrations