Geometry & MOs

Info

ID:	217126
PubChem CID:	85087295
Reduced:	ON2C22H26 (1)
Stoich.:	AB2C22D26 (1)
Weight, g/mol:	334.250795
ΔH_f, kcal/mol:	1.62
Dipole, Da:	1.33
IP(EA), eV:	-8.45(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-ethyl-6-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate

Drug info:

PubChemData

Smile

CC1CCCN1CCC2=CC3=C(C=C2)N=C(C=C3)C4=C(OC(=C4)C)C

DOS

IR

Vibrations