Geometry & MOs

Info

ID:	25911
PubChem CID:	633477
Reduced:	NO5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	399.259356
ΔH_f, kcal/mol:	-181.1
Dipole, Da:	7.9
IP(EA), eV:	-8.35(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-ethynyl-N-methoxy-13-methyl-17-trimethylsilyloxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-imine

Drug info:

PubChemData

Smile

CCOC(=O)C12CCC(=O)C=C1CC3C4=CC(=C(C=C4CCN3C2)OC)OC

DOS

IR

Vibrations