Geometry & MOs

Info

ID:	448934
PubChem CID:	135294572
Reduced:	ClFON6H14C16 (1)
Stoich.:	ABCD6E14F16 (1)
Weight, g/mol:	182.141913
ΔH_f, kcal/mol:	18.75
Dipole, Da:	5.42
IP(EA), eV:	-8.48(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxybutan-2-yl)-2,3-dihydropyridin-5-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC2=NC=CC(=N2)C3=C(C=C(C(=C3)Cl)CNC=O)F

DOS

IR

Vibrations