Geometry & MOs

Info

ID:	298710
PubChem CID:	117654248
Reduced:	FN4O5H29C31 (1)
Stoich.:	AB4C5D29E31 (1)
Weight, g/mol:	356.162374
ΔH_f, kcal/mol:	-124.25
Dipole, Da:	2.07
IP(EA), eV:	-8.97(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-(4-phenylmethoxyphenyl)oxetan-3-yl]oxypropanoate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)F)C.CC(C)(C#CC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)C(=O)O)C(=O)N)O

DOS

IR

Vibrations