Geometry & MOs

Info

ID:	178845
PubChem CID:	76388514
Reduced:	N2O12C19H20 (1)
Stoich.:	A2B12C19D20 (1)
Weight, g/mol:	357.174022
ΔH_f, kcal/mol:	-379.88
Dipole, Da:	7.1
IP(EA), eV:	-9.81(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(diethylamino)-2-oxoethyl] 2-(3-fluoro-4-phenylphenyl)propanoate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C(=O)NC2COC3C2OCC3O[N+](=O)[O-]

DOS

IR

Vibrations