Geometry & MOs

Info

ID:	262229
PubChem CID:	103277878
Reduced:	NOC14H27 (1)
Stoich.:	ABC14D27 (1)
Weight, g/mol:	258.16198
ΔH_f, kcal/mol:	-85.83
Dipole, Da:	4.12
IP(EA), eV:	-8.98(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-3,4-dihydro-2H-chromen-4-ol

Drug info:

PubChemData

Smile

CCC(C)(CN)C(C1CC(C=C(C1)C)C)O

DOS

IR

Vibrations