Geometry & MOs

Info

ID:	25822
PubChem CID:	631284
Reduced:	ON2F5H13C16 (1)
Stoich.:	AB2C5D13E16 (1)
Weight, g/mol:	344.235145
ΔH_f, kcal/mol:	-236.12
Dipole, Da:	6.11
IP(EA), eV:	-9.43(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C3(C=CN(C3C(C(F)(F)F)(F)F)C(=O)C)C=N2

DOS

IR

Vibrations