Geometry & MOs

Info

ID:	43116
PubChem CID:	10318660
Reduced:	ClO2N3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	398.222211
ΔH_f, kcal/mol:	-32.05
Dipole, Da:	1.98
IP(EA), eV:	-8.73(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-ditert-butyl-4-methoxyphenyl)-2-dimethoxyphosphoryl-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CN1CCCC(CC1)N2C(=O)C3=C(C=C(C=C3)O)C(=N2)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations