Geometry & MOs

Info

ID:	404451
PubChem CID:	135066350
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	322.173294
ΔH_f, kcal/mol:	7.04
Dipole, Da:	4.18
IP(EA), eV:	-8.68(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-2-[2-[4-[(E)-2-phenylethenyl]phenyl]cyclopropyl]pentan-3-one

Drug info:

PubChemData

Smile

CC(=O)N(C=C=C1CCCCC1)C2=CC=CC=C2CC=C

DOS

IR

Vibrations