Geometry & MOs

Info

ID:	292339
PubChem CID:	114917165
Reduced:	Cl2N2O3H12C14 (1)
Stoich.:	A2B2C3D12E14 (1)
Weight, g/mol:	312.023247
ΔH_f, kcal/mol:	-70.5
Dipole, Da:	5.95
IP(EA), eV:	-8.43(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=NC=C2Cl)Cl

DOS

IR

Vibrations