Geometry & MOs

Info

ID:	80124
PubChem CID:	49833109
Reduced:	SO2N7C27H33 (1)
Stoich.:	AB2C7D27E33 (1)
Weight, g/mol:	236.064886
ΔH_f, kcal/mol:	38.22
Dipole, Da:	7.26
IP(EA), eV:	-8.71(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-difluoro-3-phenylmethoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1CN(CCC1N2CCOCC2)CC3=CC4=C(S3)C(=NC(=N4)C5=CC=CC6=NC=CN65)N7CCOCC7

DOS

IR

Vibrations