Geometry & MOs

Info

ID:	337953
PubChem CID:	127258576
Reduced:	BrNO3C18H24 (1)
Stoich.:	ABC3D18E24 (1)
Weight, g/mol:	297.136493
ΔH_f, kcal/mol:	-119.51
Dipole, Da:	4.3
IP(EA), eV:	-9.4(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-phenylmethyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CCCC(=O)OCCCCN(C(=C)C1=CC=CC=C1)C(=O)CBr

DOS

IR

Vibrations