Geometry & MOs

Info

ID:	342028
PubChem CID:	127264741
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	288.94083
ΔH_f, kcal/mol:	-44.95
Dipole, Da:	4.93
IP(EA), eV:	-8.42(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-bromothiophen-2-yl)prop-2-enoylamino]acetic acid

Drug info:

PubChemData

Smile

CN1CCC2=C(C1=O)C=C(C=C2)NC(=O)NCC3CCN(C3)C4=CC=CC=C4

DOS

IR

Vibrations