Geometry & MOs

Info

ID:	437514
PubChem CID:	135226500
Reduced:	NO3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	424.310632
ΔH_f, kcal/mol:	-117.36
Dipole, Da:	3.51
IP(EA), eV:	-9.29(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-5-(tetrabutyl-lambda5-phosphanyl)oxybenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)O)C(=O)NCCOC

DOS

IR

Vibrations