Geometry & MOs

Info

ID:	264421
PubChem CID:	103460238
Reduced:	N3C13H19 (1)
Stoich.:	A3B13C19 (1)
Weight, g/mol:	243.183444
ΔH_f, kcal/mol:	25.29
Dipole, Da:	6.03
IP(EA), eV:	-8.36(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethylbutylamino)-3,3-dimethyl-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C)CNC1=C(C=C(C=C1)C#N)N

DOS

IR

Vibrations