Geometry & MOs

Info

ID:	2153
PubChem CID:	6033
Reduced:	O2C29H50 (1)
Stoich.:	A2B29C50 (1)
Weight, g/mol:	430.381081
ΔH_f, kcal/mol:	-179.5
Dipole, Da:	2.9
IP(EA), eV:	-7.93(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CC[C@](O2)(C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)C(=C1O)C)C

DOS

IR

Vibrations