Geometry & MOs

Info

ID:	419832
PubChem CID:	135109250
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-43.35
Dipole, Da:	4.05
IP(EA), eV:	-9.12(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(3-ethylimidazol-4-yl)methylamino]pyridin-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3C=CCN3)C4=C1SC=C4

DOS

IR

Vibrations