Geometry & MOs

Info

ID:	217291
PubChem CID:	85087559
Reduced:	O2N5C19H19 (1)
Stoich.:	A2B5C19D19 (1)
Weight, g/mol:	349.261694
ΔH_f, kcal/mol:	35.47
Dipole, Da:	8.34
IP(EA), eV:	-8.96(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(N-hydroxy-C-methylcarbonimidoyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol

Drug info:

PubChemData

Smile

CCCC1=NN(C(=O)C1=NNC2=CC=C(C=C2)C)C(=O)C3=CN=CC=C3

DOS

IR

Vibrations