Geometry & MOs

Info

ID:	292342
PubChem CID:	114917208
Reduced:	Cl2N2O3H8C13 (1)
Stoich.:	A2B2C3D8E13 (1)
Weight, g/mol:	312.023247
ΔH_f, kcal/mol:	-56.27
Dipole, Da:	2.92
IP(EA), eV:	-8.71(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC(=NC=C3Cl)Cl

DOS

IR

Vibrations