Geometry & MOs

Info

ID:	203280
PubChem CID:	79807861
Reduced:	BrNOSC14H16 (1)
Stoich.:	ABCDE14F16 (1)
Weight, g/mol:	261.08235
ΔH_f, kcal/mol:	-4.44
Dipole, Da:	2.58
IP(EA), eV:	-8.81(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-1-phenylethyl)-4-methylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC=C1C(C(CN)C2=CC(=CC=C2)Br)O

DOS

IR

Vibrations