Geometry & MOs

Info

ID:	312786
PubChem CID:	126608647
Reduced:	FOSC8H17 (1)
Stoich.:	ABCD8E17 (1)
Weight, g/mol:	290.272199
ΔH_f, kcal/mol:	-127.79
Dipole, Da:	1.4
IP(EA), eV:	-8.91(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,3-diamine

Drug info:

PubChemData

Smile

CCCC(CCCOCF)S

DOS

IR

Vibrations