Geometry & MOs

Info

ID:	101
PubChem CID:	2116
Reduced:	O2C29H50 (1)
Stoich.:	A2B29C50 (1)
Weight, g/mol:	430.381081
ΔH_f, kcal/mol:	-180.24
Dipole, Da:	3.27
IP(EA), eV:	-7.92(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C

DOS

IR

Vibrations