Geometry & MOs

Info

ID:	80481
PubChem CID:	49834664
Reduced:	BrN3O4C30H35 (1)
Stoich.:	AB3C4D30E35 (1)
Weight, g/mol:	291.165686
ΔH_f, kcal/mol:	-102.5
Dipole, Da:	4.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750744
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-N-(thiophen-3-ylmethyl)dodeca-2,4-dienamide

Drug info:

PubChemData

Smile

C[N+]1(CCC(CC1)OC(=O)NC2=C(C=C(C=C2)CCCC(=O)NC3=C(C=C(C=C3)O)Br)C4=CC=CC=C4)C

DOS

IR

Vibrations