Geometry & MOs

Info

ID:	212288
PubChem CID:	81060019
Reduced:	ON3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	32.55
Dipole, Da:	3.61
IP(EA), eV:	-9.16(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-hydroxycyclobutyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2COC3=CC=CC=C23

DOS

IR

Vibrations