Geometry & MOs

Info

ID:	213723
PubChem CID:	81064785
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	283.214744
ΔH_f, kcal/mol:	-63.22
Dipole, Da:	2.33
IP(EA), eV:	-9.79(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-butylcyclohexanecarbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CC2=NNN=C2C=C1

DOS

IR

Vibrations