Geometry & MOs

Info

ID:	224379
PubChem CID:	85342281
Reduced:	NO3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	388.224974
ΔH_f, kcal/mol:	-256.05
Dipole, Da:	3.75
IP(EA), eV:	-9.07(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5,8-dimethoxy-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1(CC2=C(C1)C3=C(CC(C3)(C(=O)OC)NC(=O)C)C=C2)C(=O)OC

DOS

IR

Vibrations