Geometry & MOs

Info

ID:	287819
PubChem CID:	104295451
Reduced:	BrOF2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	292.084576
ΔH_f, kcal/mol:	-105.87
Dipole, Da:	3.34
IP(EA), eV:	-8.81(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-(2,4-difluoro-5-methylphenyl)-4-propylthiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C(C2=CC(=C(C=C2)OC)C)Br

DOS

IR

Vibrations