Geometry & MOs

Info

ID:	184123
PubChem CID:	77113374
Reduced:	ON2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	226.10659
ΔH_f, kcal/mol:	-68.86
Dipole, Da:	6.78
IP(EA), eV:	-8.97(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-3-hydroxyiminopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCN1C=NC=C1CN2C(=O)CCN(C2=O)C

DOS

IR

Vibrations