Geometry & MOs

Info

ID:	80675
PubChem CID:	49835848
Reduced:	N2C17H18 (1)
Stoich.:	A2B17C18 (1)
Weight, g/mol:	361.04259
ΔH_f, kcal/mol:	67.45
Dipole, Da:	2.2
IP(EA), eV:	-8.39(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[4-(butanoylamino)pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCCN1C2=CC=CC=C2C(=N1)C3=CC=CC=C3

DOS

IR

Vibrations