Geometry & MOs

Info

ID:	25836
PubChem CID:	631542
Reduced:	F3N6H15C16 (1)
Stoich.:	A3B6C15D16 (1)
Weight, g/mol:	348.23006
ΔH_f, kcal/mol:	-73.93
Dipole, Da:	2.24
IP(EA), eV:	-8.28(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(7-hydroxy-1,4b,8,8-tetramethyl-10-oxo-1,3,4,4a,5,6,7,8a,9,10a-decahydrophenanthren-2-ylidene)acetate

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)C(F)(F)F)C2=NC3=C(C=C2)N=C(N=C3N)N

DOS

IR

Vibrations