Geometry & MOs

Info

ID:	374140
PubChem CID:	131324286
Reduced:	N3H11C12 (1)
Stoich.:	A3B11C12 (1)
Weight, g/mol:	176.074976
ΔH_f, kcal/mol:	77.29
Dipole, Da:	1.62
IP(EA), eV:	-9.2(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-aminoprop-1-enyl]-5-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=CC=N2)C(C#N)N

DOS

IR

Vibrations