Geometry & MOs

Info

ID:	218276
PubChem CID:	85089118
Reduced:	ON4H28C29 (1)
Stoich.:	AB4C28D29 (1)
Weight, g/mol:	444.251189
ΔH_f, kcal/mol:	76.56
Dipole, Da:	4.67
IP(EA), eV:	-8.74(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-ethynyl-3,16,17-tris(methoxymethoxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene

Drug info:

PubChemData

Smile

CC1C2C(CC(=CC2NN1)C3=CC=C(C=C3)C)C4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6

DOS

IR

Vibrations