Geometry & MOs

Info

ID:	423158
PubChem CID:	135119030
Reduced:	O3N4H22C24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-38.46
Dipole, Da:	6.68
IP(EA), eV:	-9.42(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-[4-(oxolan-2-yl)butyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC2=C(C1=O)C=CC(=C2)C(=O)N3C[C@H]([C@@H](C3)O)CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations