Geometry & MOs

Info

ID:	407076
PubChem CID:	135079282
Reduced:	ON2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	267.183444
ΔH_f, kcal/mol:	3.99
Dipole, Da:	4.66
IP(EA), eV:	-8.42(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(cyclohexylamino)-2-oxoethyl]-4,4-dimethylpent-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C/C(=C/C(=O)NC2=CC=CC=C2)/N

DOS

IR

Vibrations