Geometry & MOs

Info

ID:	159253
PubChem CID:	57269326
Reduced:	O9C37H64 (1)
Stoich.:	A9B37C64 (1)
Weight, g/mol:	342.122714
ΔH_f, kcal/mol:	-455.61
Dipole, Da:	5.05
IP(EA), eV:	-9.4(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-4-(2-fluorohexanoyloxy)-5-nitrobenzoic acid

Drug info:

PubChemData

Smile

CCCC(C=C(C)CC(C)CC(C(C(CC(C)C(=O)OC)OC)O)OC)C(=O)C=CC(C)C(C(=CC1CCC(C(C1)OC)O)C)O

DOS

IR

Vibrations