Geometry & MOs

Info

ID:	285600
PubChem CID:	104115194
Reduced:	O2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	198.136828
ΔH_f, kcal/mol:	-12.79
Dipole, Da:	4.27
IP(EA), eV:	-8.74(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[butyl(ethyl)amino]-1,3-oxazol-4-yl]methanol

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=N2)C3=NC(=CO3)CO

DOS

IR

Vibrations