Geometry & MOs

Info

ID:	432042
PubChem CID:	135172174
Reduced:	SO3N5C26H39 (1)
Stoich.:	AB3C5D26E39 (1)
Weight, g/mol:	227.224915
ΔH_f, kcal/mol:	-77.59
Dipole, Da:	6.69
IP(EA), eV:	-8.41(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-N-pentan-2-yloxan-4-amine

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C(CC(=O)OC)C=C)NC2=NC(=NS2)N3CCOCC3

DOS

IR

Vibrations