Geometry & MOs

Info

ID:	400101
PubChem CID:	135045446
Reduced:	FNH16C17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	279.092915
ΔH_f, kcal/mol:	16.13
Dipole, Da:	2.94
IP(EA), eV:	-8.48(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C=C[C@H]([C@@H]1CC2=C(N1)C=CC(=C2)F)C3=CC=CC=C3

DOS

IR

Vibrations