Geometry & MOs

Info

ID:	125221
PubChem CID:	50915490
Reduced:	FN4O4H17C21 (1)
Stoich.:	AB4C4D17E21 (1)
Weight, g/mol:	312.099774
ΔH_f, kcal/mol:	-119.42
Dipole, Da:	9.82
IP(EA), eV:	-9.22(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-hydroxy-2,3-dimethoxyphenanthrene-9-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)OC3=C4CNC(=O)NC4=NC=C3)F

DOS

IR

Vibrations