Geometry & MOs

Info

ID:	205774
PubChem CID:	80155326
Reduced:	ON2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	-15.81
Dipole, Da:	3.3
IP(EA), eV:	-9.02(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-propan-2-ylanilino)methyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCNCC1=CN=C(C=C1)COCC=CC

DOS

IR

Vibrations