Geometry & MOs

Info

ID:	297767
PubChem CID:	117629798
Reduced:	ClO2N6C19H25 (1)
Stoich.:	AB2C6D19E25 (1)
Weight, g/mol:	348.153701
ΔH_f, kcal/mol:	-43.82
Dipole, Da:	4.97
IP(EA), eV:	-8.62(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,1-diethoxyethyl)phenyl]-2,2-difluoro-1-phenylethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1CC(CN1C(=O)O)NC2=C3C=C(C=CC3=CC(=N2)/C(=N/N)/N)Cl

DOS

IR

Vibrations