Geometry & MOs

Info

ID:	197508
PubChem CID:	78972823
Reduced:	BrINO3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	171.125929
ΔH_f, kcal/mol:	-89.36
Dipole, Da:	6.4
IP(EA), eV:	-10.02(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethoxypropan-2-yl)but-2-enamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)NC(=O)C1=C(C=CC(=C1)Br)I

DOS

IR

Vibrations