Geometry & MOs

Info

ID:	393656
PubChem CID:	135021439
Reduced:	ClN2O9C21H23 (1)
Stoich.:	AB2C9D21E23 (1)
Weight, g/mol:	330.183109
ΔH_f, kcal/mol:	-298.96
Dipole, Da:	3.23
IP(EA), eV:	-9.21(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4aS,6aS,11bS)-3,11-dihydroxy-10-methoxy-11b-methyl-2,3,4,4a,5,6,6a,11-octahydro-1H-benzo[a]fluorene-11a-carbaldehyde

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(C(N(C(=O)C2C(O)(O)OC)C(O)O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations