Geometry & MOs

Info

ID:	131105
PubChem CID:	51156742
Reduced:	BrN2O3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	361.200156
ΔH_f, kcal/mol:	-139.12
Dipole, Da:	3.03
IP(EA), eV:	-9.22(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC(C)(C)C)C(=O)C(C)OC1=CC=C(C=C1)Br

DOS

IR

Vibrations