Geometry & MOs

Info

ID:	206427
PubChem CID:	80249520
Reduced:	BrNOSC16H16 (1)
Stoich.:	ABCDE16F16 (1)
Weight, g/mol:	274.99795
ΔH_f, kcal/mol:	22.87
Dipole, Da:	3.21
IP(EA), eV:	-9.02(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(3-methylthiophen-2-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNC(C)C2=CC3=C(O2)C=CC(=C3)Br

DOS

IR

Vibrations