Geometry & MOs

Info

ID:	290496
PubChem CID:	104640104
Reduced:	OBr2N3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	9.24
Dipole, Da:	4.2
IP(EA), eV:	-8.83(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(propylamino)-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)NC(=O)C2=NC=C(C=C2)NC)Br

DOS

IR

Vibrations