Geometry & MOs

Info

ID:	298900
PubChem CID:	117663983
Reduced:	N3C6H7 (1)
Stoich.:	A3B6C7 (1)
Weight, g/mol:	465.299142
ΔH_f, kcal/mol:	56.26
Dipole, Da:	4.92
IP(EA), eV:	-9.0(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3-(methoxymethyl)-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-pyrazolo[4,3-b]pyridin-2-ylethanone

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C=N)N

DOS

IR

Vibrations