Geometry & MOs

Info

ID:	285645
PubChem CID:	104115367
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-37.56
Dipole, Da:	4.54
IP(EA), eV:	-8.9(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-butan-2-ylpiperazin-1-yl)-1,3-oxazol-4-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N(C)C2=NC(=CO2)CO)C

DOS

IR

Vibrations