Geometry & MOs

Info

ID:	401924
PubChem CID:	135053391
Reduced:	N2F3O6H17C19 (1)
Stoich.:	A2B3C6D17E19 (1)
Weight, g/mol:	303.081477
ΔH_f, kcal/mol:	-379.32
Dipole, Da:	7.52
IP(EA), eV:	-10.13(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-(4-methylphenyl)phenanthridine

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H]3COC4=C(C(=O)NC(=O)N4C([C@@H]2O1)O3)C5=CC=C(C=C5)C(F)(F)F)C

DOS

IR

Vibrations