Geometry & MOs

Info

ID:	156033
PubChem CID:	56368839
Reduced:	BrClFON4H13C17 (1)
Stoich.:	ABCDE4F13G17 (1)
Weight, g/mol:	475.02983
ΔH_f, kcal/mol:	7.55
Dipole, Da:	7.94
IP(EA), eV:	-9.28(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations