Geometry & MOs

Info

ID:	149941
PubChem CID:	53789623
Reduced:	N2P2O6C15H28 (1)
Stoich.:	A2B2C6D15E28 (1)
Weight, g/mol:	346.250795
ΔH_f, kcal/mol:	-390.38
Dipole, Da:	4.28
IP(EA), eV:	-8.66(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-bis(2,3-dimethylbutan-2-yl)-4-hydroxyphenyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CCOP(=O)(C1=C(N=CC(=C1)C)N(C)P(=O)(OCC)OCC)OCC

DOS

IR

Vibrations