Geometry & MOs

Info

ID:	424529
PubChem CID:	135123016
Reduced:	O2N3C7H11 (1)
Stoich.:	A2B3C7D11 (1)
Weight, g/mol:	503.223177
ΔH_f, kcal/mol:	-48.17
Dipole, Da:	4.39
IP(EA), eV:	-10.51(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(1-ethyltriazol-4-yl)methoxy]-2,2-difluoro-3-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]propanoate

Drug info:

PubChemData

Smile

CCCOC(=O)C1=NNC(=N1)C

DOS

IR

Vibrations