Geometry & MOs

Info

ID:	212373
PubChem CID:	81060295
Reduced:	N3C16H23 (1)
Stoich.:	A3B16C23 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	12.15
Dipole, Da:	4.59
IP(EA), eV:	-9.03(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CCCCCC1NC2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations