Geometry & MOs

Info

ID:	279560
PubChem CID:	103844336
Reduced:	OF2N2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	278.13789
ΔH_f, kcal/mol:	-105.66
Dipole, Da:	5.33
IP(EA), eV:	-9.03(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-nitropyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=C(C=C(C=C1F)C#N)F)CO

DOS

IR

Vibrations