Geometry & MOs

Info

ID:	270326
PubChem CID:	103636057
Reduced:	ON2F4H12C14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	264.068097
ΔH_f, kcal/mol:	-194.63
Dipole, Da:	5.63
IP(EA), eV:	-8.95(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-nitropyridin-4-amine

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)CNC2=C(C=C(C=C2)C(F)(F)F)F

DOS

IR

Vibrations