Geometry & MOs

Info

ID:	285609
PubChem CID:	104115215
Reduced:	O2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	211.132077
ΔH_f, kcal/mol:	-22.32
Dipole, Da:	1.94
IP(EA), eV:	-8.93(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methyl-1,4-diazepan-1-yl)-1,3-oxazol-4-yl]methanol

Drug info:

PubChemData

Smile

CN(CCC1=CC=CC=N1)C2=NC(=CO2)CO

DOS

IR

Vibrations