Geometry & MOs

Info

ID:	397404
PubChem CID:	135030173
Reduced:	ClFON2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	256.101191
ΔH_f, kcal/mol:	-45.76
Dipole, Da:	5.21
IP(EA), eV:	-9.34(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(aminomethyl)-4-methoxyphenyl]-3-fluorobenzonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=C(C=C(C=C2)C#N)F)CN.Cl

DOS

IR

Vibrations