Geometry & MOs

Info

ID:	194662
PubChem CID:	78570923
Reduced:	N4O4C21H24 (1)
Stoich.:	A4B4C21D24 (1)
Weight, g/mol:	362.96527
ΔH_f, kcal/mol:	-90.36
Dipole, Da:	5.89
IP(EA), eV:	-9.09(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-bromothiophen-2-yl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)C(C#N)C(=N)C

DOS

IR

Vibrations