Geometry & MOs

Info

ID:	184002
PubChem CID:	77101187
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	293.235479
ΔH_f, kcal/mol:	-99.08
Dipole, Da:	4.4
IP(EA), eV:	-8.6(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dicyclohexylamino)-2-ethylbut-2-enoic acid

Drug info:

PubChemData

Smile

CCC(=CCN(C)C1=CC=C(C=C1)O)C(=O)O

DOS

IR

Vibrations