Geometry & MOs

Info

ID:	374960
PubChem CID:	131407895
Reduced:	ClNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	212.079707
ΔH_f, kcal/mol:	-49.24
Dipole, Da:	6.2
IP(EA), eV:	-8.96(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-hydroxypyrrolidin-1-yl)-1,3-oxazole-5-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)Cl)CCC#N)O

DOS

IR

Vibrations