Geometry & MOs

Info

ID:	127657
PubChem CID:	51010450
Reduced:	NO3C28H31 (1)
Stoich.:	AB3C28D31 (1)
Weight, g/mol:	376.131074
ΔH_f, kcal/mol:	-65.49
Dipole, Da:	4.13
IP(EA), eV:	-8.93(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,16R)-7,8,16-trimethoxypentacyclo[14.2.2.02,15.04,13.05,10]icosa-2(15),4(13),5,7,9,11,17-heptaene-3,14-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C2=C([C@@]34CCCC[C@@H]3[C@]2(CC4=O)N(C)C)C5=CC=CC=C5

DOS

IR

Vibrations