Geometry & MOs

Info

ID:	258532
PubChem CID:	103154759
Reduced:	ClO2N3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	265.106256
ΔH_f, kcal/mol:	-75.26
Dipole, Da:	4.68
IP(EA), eV:	-9.01(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)Cl)NC(=O)CC(CN)OC

DOS

IR

Vibrations