Geometry & MOs

Info

ID:	447465
PubChem CID:	135283069
Reduced:	ClF2N4O5H31C32 (1)
Stoich.:	AB2C4D5E31F32 (1)
Weight, g/mol:	293.105193
ΔH_f, kcal/mol:	-201.31
Dipole, Da:	4.56
IP(EA), eV:	-9.81(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4,5,6,7-tetrahydro-1H-phenanthro[10,9-b]pyridine-8,10,11-trione

Drug info:

PubChemData

Smile

CC[C@](C1=CC2=C(C(=C1)F)[C@@](N(C2=O)CC3=NC=C(C=N3)C#N)(C4=CC=C(C=C4)Cl)O[C@H]5CCOC5)(C6(CCOCC6)F)O

DOS

IR

Vibrations