Geometry & MOs

Info

ID:	423128
PubChem CID:	135118976
Reduced:	ClNSO3C19H20 (1)
Stoich.:	ABCD3E19F20 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	-88.52
Dipole, Da:	4.0
IP(EA), eV:	-9.18(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-(2-oxa-8-azaspiro[4.5]decan-3-ylmethylamino)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)Cl)C(=O)N2CCC3(CC2)C4=C(CCO3)SC=C4

DOS

IR

Vibrations