Geometry & MOs

Info

ID:	188659
PubChem CID:	77749360
Reduced:	FO2N4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	230.167065
ΔH_f, kcal/mol:	-31.57
Dipole, Da:	4.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.058820
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-1-methyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene

Drug info:

PubChemData

Smile

C1=CC2C(=[N+](C(=O)N(C2=O)C3=CC(=CC=C3)F)CCCN4C=CN=C4)C=C1

DOS

IR

Vibrations