Geometry & MOs

Info

ID:	252205
PubChem CID:	103109788
Reduced:	ON3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	323.9932
ΔH_f, kcal/mol:	28.87
Dipole, Da:	6.26
IP(EA), eV:	-8.65(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-5-bromothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations