Geometry & MOs

Info

ID:	244464
PubChem CID:	99355636
Reduced:	ClO3N6C20H21 (1)
Stoich.:	AB3C6D20E21 (1)
Weight, g/mol:	401.9883
ΔH_f, kcal/mol:	-16.07
Dipole, Da:	4.9
IP(EA), eV:	-8.8(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)COC1=C(C=C(C=C1)NC(=O)C2=NN=C(C=C2)N3C=CN=C3)Cl

DOS

IR

Vibrations