Geometry & MOs

Info

ID:	217163
PubChem CID:	85087355
Reduced:	O4C8H9 (2)
Stoich.:	A4B8C9 (2)
Weight, g/mol:	346.152872
ΔH_f, kcal/mol:	-323.18
Dipole, Da:	7.03
IP(EA), eV:	-9.69(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-9-(2-nitrophenyl)-3,3a,4,5,5a,6,8,9,9a,9b-decahydro-2H-furo[2,3-f]quinolin-7-one

Drug info:

PubChemData

Smile

CC1(C(C2C(C(C1O)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC)O)O

DOS

IR

Vibrations