Geometry & MOs

Info

ID:	182787
PubChem CID:	76938325
Reduced:	ClSO2N3C13H18 (1)
Stoich.:	ABC2D3E13F18 (1)
Weight, g/mol:	234.173213
ΔH_f, kcal/mol:	-37.9
Dipole, Da:	2.37
IP(EA), eV:	-9.1(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-but-2-enoxypyridin-4-yl)methyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C(=NO)N)NC(=O)C2=CC=C(S2)Cl

DOS

IR

Vibrations