Geometry & MOs

Info

ID:	184490
PubChem CID:	77168697
Reduced:	N3O5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	494.18352
ΔH_f, kcal/mol:	-142.17
Dipole, Da:	3.51
IP(EA), eV:	-8.39(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(dimethylamino)pyrimidin-5-yl]-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol;sulfuric acid

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)C3CC(CCC3N=C2C4=CN=C(N=C4)OC)OC(=O)C)OC

DOS

IR

Vibrations