Geometry & MOs

Info

ID:	408857
PubChem CID:	135081627
Reduced:	NPO6C16H18 (1)
Stoich.:	ABC6D16E18 (1)
Weight, g/mol:	443.128645
ΔH_f, kcal/mol:	-256.76
Dipole, Da:	2.36
IP(EA), eV:	-9.43(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2,2,6-triphenyl-1-aza-2lambda5-phosphacyclohexa-1,3,5-triene-3,5-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(N=P1(OC)OC)C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations