Geometry & MOs

Info

ID:	342352
PubChem CID:	127265175
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	325.03136
ΔH_f, kcal/mol:	-60.12
Dipole, Da:	4.53
IP(EA), eV:	-9.76(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-3-(2-methylbut-2-enoylamino)propanoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=CC=CC=C2)C(=O)O)C(=O)C=CC3=CC=NC=C3

DOS

IR

Vibrations