Geometry & MOs

Info

ID:	72451
PubChem CID:	48416189
Reduced:	NF2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	335.173273
ΔH_f, kcal/mol:	-229.06
Dipole, Da:	2.48
IP(EA), eV:	-8.66(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-(oxolane-2-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC(=CC(=C2)F)F)C(=O)OC

DOS

IR

Vibrations