Geometry & MOs

Info

ID:	440659
PubChem CID:	135230835
Reduced:	O2F3N3C27H30 (1)
Stoich.:	A2B3C3D27E30 (1)
Weight, g/mol:	298.101665
ΔH_f, kcal/mol:	-176.41
Dipole, Da:	4.42
IP(EA), eV:	-8.19(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-(1,3-dioxolan-2-yl)-3,5-difluorophenyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C([C@H](N1CC(C)(C)F)C3=C(C=C(C=C3F)N4CC(C4)(C)C(=O)O)F)NC5=CC=CC=C25

DOS

IR

Vibrations