Geometry & MOs

Info

ID:	283256
PubChem CID:	103968156
Reduced:	ClN3C16H26 (1)
Stoich.:	AB3C16D26 (1)
Weight, g/mol:	290.199428
ΔH_f, kcal/mol:	-30.33
Dipole, Da:	5.29
IP(EA), eV:	-8.91(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)C)NC2CC(CC(C2)(C)C)(C)C

DOS

IR

Vibrations