Geometry & MOs

Info

ID:	176189
PubChem CID:	76007268
Reduced:	ClN2O5H17C23 (1)
Stoich.:	AB2C5D17E23 (1)
Weight, g/mol:	385.144471
ΔH_f, kcal/mol:	-84.77
Dipole, Da:	3.54
IP(EA), eV:	-8.63(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[10,9-f]indolizin-6-ol;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)N2C(=CN(C2=O)C3=CC=CC=C3)C4=CC=C(O4)Cl)O

DOS

IR

Vibrations