Geometry & MOs

Info

ID:	155218
PubChem CID:	56322747
Reduced:	BrClN2O2C16H16 (1)
Stoich.:	ABC2D2E16F16 (1)
Weight, g/mol:	448.00009
ΔH_f, kcal/mol:	-42.07
Dipole, Da:	3.92
IP(EA), eV:	-8.99(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)CNC(=O)C2=C(N=CC(=C2)Br)Cl

DOS

IR

Vibrations