Geometry & MOs

Info

ID:	181659
PubChem CID:	76771415
Reduced:	N3O5C20H29 (1)
Stoich.:	A3B5C20D29 (1)
Weight, g/mol:	412.264501
ΔH_f, kcal/mol:	-172.95
Dipole, Da:	5.42
IP(EA), eV:	-10.0(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-7a-methyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,2,3,3a,6,7-hexahydroinden-5-one

Drug info:

PubChemData

Smile

CC12CCC3(C=C4C(C(C(CC45CCC3(C1CCC2O)O5)N=[N+]=[N-])O)O)CO

DOS

IR

Vibrations