Geometry & MOs

Info

ID:	55282
PubChem CID:	17389998
Reduced:	ClFN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	180.07212
ΔH_f, kcal/mol:	-66.44
Dipole, Da:	5.36
IP(EA), eV:	-8.44(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-methyl-5-propylthiophene-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C2C(=C(NC2=C(C=C1)F)C)CCN.Cl

DOS

IR

Vibrations