Geometry & MOs

Info

ID:	285882
PubChem CID:	104134855
Reduced:	ClN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	302.118591
ΔH_f, kcal/mol:	-90.48
Dipole, Da:	3.2
IP(EA), eV:	-9.49(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(2,4-dimethylphenyl)-6-ethyl-N-methylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)C(=O)N(C)CC2CCCCO2)Cl

DOS

IR

Vibrations