Geometry & MOs

Info

ID:	285810
PubChem CID:	104133895
Reduced:	ClN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	310.144806
ΔH_f, kcal/mol:	-92.3
Dipole, Da:	3.53
IP(EA), eV:	-9.96(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-6-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CC(=C1)C(=O)NC2CCOCC2)Cl

DOS

IR

Vibrations