Geometry & MOs

Info

ID:	196858
PubChem CID:	78888372
Reduced:	ClNO3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	369.01129
ΔH_f, kcal/mol:	-138.85
Dipole, Da:	2.71
IP(EA), eV:	-9.12(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-6-phenoxypyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=C(C=CC(=C2)Cl)OCC(=O)NCCO

DOS

IR

Vibrations