Geometry & MOs

Info

ID:	380157
PubChem CID:	134970359
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	267.0707
ΔH_f, kcal/mol:	-78.26
Dipole, Da:	2.18
IP(EA), eV:	-10.17(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[(1R)-2,2-difluoro-3-(4-nitrophenyl)cyclopropyl]but-3-en-2-one

Drug info:

PubChemData

Smile

C=CC[C@H]1[C@H](C1CCO)CO

DOS

IR

Vibrations