Geometry & MOs

Info

ID:	321454
PubChem CID:	126666073
Reduced:	ClN3O4H20C22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	199.084458
ΔH_f, kcal/mol:	-32.13
Dipole, Da:	2.51
IP(EA), eV:	-8.4(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(hydroxymethyl)-3-propyl-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NOC2=C1C(=O)N(N=C2C3=C(C=CC(=C3)OC)OC)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations