Geometry & MOs

Info

ID:	440665
PubChem CID:	135230860
Reduced:	FON2C14H17 (2)
Stoich.:	ABC2D14E17 (2)
Weight, g/mol:	256.091101
ΔH_f, kcal/mol:	-127.35
Dipole, Da:	5.06
IP(EA), eV:	-8.03(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3,5-difluoro-4-formylcyclohexa-1,3-dien-1-yl)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(=O)NC)OC)NC5=CC=CC=C25

DOS

IR

Vibrations