Geometry & MOs

Info

ID:	258709
PubChem CID:	103156500
Reduced:	BrO2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	216.147393
ΔH_f, kcal/mol:	-32.43
Dipole, Da:	6.07
IP(EA), eV:	-9.66(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-(2-methyloxolan-3-yl)butanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=C(C=C(C=C1)Br)C#N)CN

DOS

IR

Vibrations