Geometry & MOs

Info

ID:	285881
PubChem CID:	104134833
Reduced:	ClN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	310.144806
ΔH_f, kcal/mol:	-80.22
Dipole, Da:	4.59
IP(EA), eV:	-9.86(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-methyl-N-(oxan-2-ylmethyl)-6-propylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)N2CCCC2CO)Cl

DOS

IR

Vibrations