Geometry & MOs

Info

ID:	411398
PubChem CID:	135084221
Reduced:	ClIC12H16 (1)
Stoich.:	ABC12D16 (1)
Weight, g/mol:	205.048741
ΔH_f, kcal/mol:	-4.79
Dipole, Da:	3.21
IP(EA), eV:	-9.27(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethynyl-5-nitropyridin-4-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(CCC1=CC=C(C=C1)Cl)CI

DOS

IR

Vibrations