Geometry & MOs

Info

ID:	261670
PubChem CID:	103244792
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	283.02079
ΔH_f, kcal/mol:	-89.91
Dipole, Da:	3.03
IP(EA), eV:	-8.76(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-[(2-bromophenyl)methylamino]-2-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

CC(=CCNCCCCN(C)C)C(=O)OC

DOS

IR

Vibrations