Geometry & MOs

Info

ID:	170921
PubChem CID:	75301288
Reduced:	O2C11H13 (2)
Stoich.:	A2B11C13 (2)
Weight, g/mol:	406.250795
ΔH_f, kcal/mol:	-129.43
Dipole, Da:	6.34
IP(EA), eV:	-9.24(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,12-dimethyl-4-phenylmethoxy-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6-trien-8-ol

Drug info:

PubChemData

Smile

CC1(OC(CC(O1)C=CC2=CC=CC=C2)CC=CC3CC=CC(=O)O3)C

DOS

IR

Vibrations