Geometry & MOs

Info

ID:	211753
PubChem CID:	81053537
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-97.67
Dipole, Da:	5.72
IP(EA), eV:	-8.93(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-hydroxycyclohexyl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1CCCN(CC1)C2=C(C(=NC(=C2)C)C)C(=O)O

DOS

IR

Vibrations