Geometry & MOs

Info

ID:	373245
PubChem CID:	131312165
Reduced:	ON2C12H22 (1)
Stoich.:	AB2C12D22 (1)
Weight, g/mol:	251.007324
ΔH_f, kcal/mol:	-56.92
Dipole, Da:	2.35
IP(EA), eV:	-8.96(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(chloromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C=C1CCCCCN1

DOS

IR

Vibrations