Geometry & MOs

Info

ID:	404578
PubChem CID:	135066911
Reduced:	NO2H15C17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	386.24571
ΔH_f, kcal/mol:	-30.52
Dipole, Da:	1.19
IP(EA), eV:	-8.5(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,6R,11S,13Z,15E)-16-(hydroxymethyl)-4,4-dimethyl-3,5-dioxatetracyclo[9.5.1.02,6.06,17]heptadeca-1(17),13,15-trien-12-yl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

COC(=O)CC1=C(C=CN1)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations