Geometry & MOs

Info

ID:	212650
PubChem CID:	81061326
Reduced:	ClN3O3H10C14 (1)
Stoich.:	AB3C3D10E14 (1)
Weight, g/mol:	243.173548
ΔH_f, kcal/mol:	29.58
Dipole, Da:	6.22
IP(EA), eV:	-9.91(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[cyclopropylmethyl(propyl)amino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations