Geometry & MOs

Info

ID:	213451
PubChem CID:	81063782
Reduced:	N2O4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-150.74
Dipole, Da:	2.85
IP(EA), eV:	-9.27(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(adamantane-1-carbonylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC(=O)NC2=CC=CC=C21

DOS

IR

Vibrations