Geometry & MOs

Info

ID:	401154
PubChem CID:	135050352
Reduced:	NO2C31H33 (1)
Stoich.:	AB2C31D33 (1)
Weight, g/mol:	378.274623
ΔH_f, kcal/mol:	-5.86
Dipole, Da:	2.77
IP(EA), eV:	-8.21(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;(10R,13S)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-olate

Drug info:

PubChemData

Smile

CCCC(=NC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)OC)OC/C(=C/CC)/C

DOS

IR

Vibrations