Geometry & MOs

Info

ID:	206430
PubChem CID:	80249523
Reduced:	BrNOSC8H10 (1)
Stoich.:	ABCDE8F10 (1)
Weight, g/mol:	217.032813
ΔH_f, kcal/mol:	-30.55
Dipole, Da:	1.64
IP(EA), eV:	-8.89(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(4-methylthiophen-3-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CSC=C1CNC(=O)CBr

DOS

IR

Vibrations