Geometry & MOs

Info

ID:	373848
PubChem CID:	131320615
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	310.8802
ΔH_f, kcal/mol:	-38.44
Dipole, Da:	4.56
IP(EA), eV:	-9.11(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(4,5-dibromothiophen-2-yl)but-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)C=C(C)C(=O)O

DOS

IR

Vibrations