Geometry & MOs

Info

ID:	183821
PubChem CID:	77074056
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	267.102606
ΔH_f, kcal/mol:	-86.93
Dipole, Da:	5.66
IP(EA), eV:	-8.87(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

CCCN(CCN(C)C)CC=C(C)C(=O)O

DOS

IR

Vibrations