Geometry & MOs

Info

ID:	56815
PubChem CID:	22391056
Reduced:	N3O5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	437.236622
ΔH_f, kcal/mol:	-127.57
Dipole, Da:	4.53
IP(EA), eV:	-8.32(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-[2-(4-fluorophenyl)ethylcarbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CN1C(C(=C(C2=CC(=C(C=C21)OC)OC)O)N(C=O)C3=CC=NC=C3)O

DOS

IR

Vibrations