Geometry & MOs

Info

ID:	84804
PubChem CID:	49870000
Reduced:	ClN2O6C30H43 (1)
Stoich.:	AB2C6D30E43 (1)
Weight, g/mol:	426.349781
ΔH_f, kcal/mol:	-234.19
Dipole, Da:	2.54
IP(EA), eV:	-9.04(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7-dienyl]-3,4-dihydrochromen-6-ol

Drug info:

PubChemData

Smile

C/C=C(\CC(C/C=C\NC(=O)C(C(C)(C)C)NC(=O)/C=C\C=C/C(=C/C(C)/C=C/C=C(\C(=O)O)/OC)/C)O)/Cl

DOS

IR

Vibrations