Geometry & MOs

Info

ID:	449128
PubChem CID:	135296196
Reduced:	FO2N3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	384.164302
ΔH_f, kcal/mol:	-41.77
Dipole, Da:	5.65
IP(EA), eV:	-9.74(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(diphenylphosphorylmethyl)cyclohexa-1,3-dien-1-yl]-4-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C(=O)O)N2N=CC=N2

DOS

IR

Vibrations