Geometry & MOs

Info

ID:	329569
PubChem CID:	126738405
Reduced:	NPO5C29H52 (1)
Stoich.:	ABC5D29E52 (1)
Weight, g/mol:	496.331762
ΔH_f, kcal/mol:	-347.8
Dipole, Da:	4.63
IP(EA), eV:	-8.32(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl [2,5,7,8-tetramethyl-2-(12-methyltridecyl)-3,4-dihydrochromen-6-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OP(=O)(O)ON)C

DOS

IR

Vibrations