Geometry & MOs

Info

ID:	307684
PubChem CID:	125308049
Reduced:	ON8C22H24 (1)
Stoich.:	AB8C22D24 (1)
Weight, g/mol:	370.250795
ΔH_f, kcal/mol:	106.78
Dipole, Da:	5.86
IP(EA), eV:	-9.05(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8R,9R,13R,14R,17R)-3-hydroxy-2,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCC2=C3C=CC=CC3=NC2)C4=NC=NC(=C4)N5C=NC=N5

DOS

IR

Vibrations