Geometry & MOs

Info

ID:	151034
PubChem CID:	53790731
Reduced:	O3C29H40 (1)
Stoich.:	A3B29C40 (1)
Weight, g/mol:	376.203845
ΔH_f, kcal/mol:	-135.81
Dipole, Da:	6.34
IP(EA), eV:	-9.28(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3,5-dimethyl-2-[(6R)-2,4,6-trimethylcyclohexa-2,4-diene-1-carbonyl]phenyl]methyl]-6-methylpyran-4-one

Drug info:

PubChemData

Smile

CC.CC.C[C@@H]1C=C(C=C(C1C(=O)C2=C(C=C(C=C2CC3=CC(=O)C=C(O3)C)C)C)C)C

DOS

IR

Vibrations