Geometry & MOs

Info

ID:	285740
PubChem CID:	104123899
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-68.04
Dipole, Da:	6.93
IP(EA), eV:	-8.79(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-[(2-methylcycloheptyl)amino]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN(C)CCNC1=NC(=CC(=C1)C(=O)O)C

DOS

IR

Vibrations