Geometry & MOs

Info

ID:	323591
PubChem CID:	126675534
Reduced:	N5C13H21 (1)
Stoich.:	A5B13C21 (1)
Weight, g/mol:	376.188589
ΔH_f, kcal/mol:	44.89
Dipole, Da:	2.92
IP(EA), eV:	-8.3(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S,13S,17R)-17-(1,2-dihydroxyethyl)-1,9,17-trihydroxy-4,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-11-one

Drug info:

PubChemData

Smile

C1CCCC(CC1)CC2=CC(=NC3=C2NNN3)N

DOS

IR

Vibrations