Geometry & MOs

Info

ID:	31925
PubChem CID:	3723585
Reduced:	S2N5C11H13 (1)
Stoich.:	A2B5C11D13 (1)
Weight, g/mol:	154.993805
ΔH_f, kcal/mol:	94.82
Dipole, Da:	5.87
IP(EA), eV:	-8.75(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-fluorobenzonitrile

Drug info:

PubChemData

Smile

CCCNC1=NC(=CS1)C2=C(N3C(=NC=N3)S2)C

DOS

IR

Vibrations