Geometry & MOs

Info

ID:	323999
PubChem CID:	126676743
Reduced:	ClPN3O8C21H31 (1)
Stoich.:	ABC3D8E21F31 (1)
Weight, g/mol:	242.00548
ΔH_f, kcal/mol:	-404.36
Dipole, Da:	6.51
IP(EA), eV:	-9.26(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-ethyl-N-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC(=O)CNP(=O)(OCC(CCl)OC(C)N(C)/C=C\C(=O)NC=O)OC1=CC=CC=C1

DOS

IR

Vibrations