Geometry & MOs

Info

ID:	206639
PubChem CID:	80276850
Reduced:	BrN3C16H20 (1)
Stoich.:	AB3C16D20 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	35.53
Dipole, Da:	1.99
IP(EA), eV:	-8.45(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[ethyl-[(6-methylpyridin-2-yl)methyl]amino]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC1=CC(=C(C=C1)N)Br)CC2=CC=CC(=N2)C

DOS

IR

Vibrations