Geometry & MOs

Info

ID:	389060
PubChem CID:	134991027
Reduced:	NO4C18H27 (1)
Stoich.:	AB4C18D27 (1)
Weight, g/mol:	330.25588
ΔH_f, kcal/mol:	-185.26
Dipole, Da:	3.7
IP(EA), eV:	-8.72(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(8R,9S,13S,14S,17S)-3-methoxy-13,17-dimethyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanol

Drug info:

PubChemData

Smile

CCN(C(C)CC1=CC=C(C=C1)OC)C(=O)CCC(=O)OCC

DOS

IR

Vibrations