Geometry & MOs

Info

ID:	212309
PubChem CID:	81060090
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	241.121512
ΔH_f, kcal/mol:	-11.55
Dipole, Da:	4.49
IP(EA), eV:	-9.05(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[furan-3-ylmethyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N2CCCC2CO

DOS

IR

Vibrations