Geometry & MOs

Info

ID:	212474
PubChem CID:	81060623
Reduced:	ON3H13C17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	231.173548
ΔH_f, kcal/mol:	65.48
Dipole, Da:	2.73
IP(EA), eV:	-9.3(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OC2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations