Geometry & MOs

Info

ID:	397629
PubChem CID:	135030490
Reduced:	BrNOH14C17 (1)
Stoich.:	ABCD14E17 (1)
Weight, g/mol:	225.095378
ΔH_f, kcal/mol:	36.59
Dipole, Da:	2.98
IP(EA), eV:	-8.77(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(fluoromethyl)-2-methylphenanthridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N[C@@H]2C=CC(=O)[C@H]2C3=CC=C(C=C3)Br

DOS

IR

Vibrations