Geometry & MOs

Info

ID:	342356
PubChem CID:	127265179
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	253.167794
ΔH_f, kcal/mol:	-86.71
Dipole, Da:	7.55
IP(EA), eV:	-9.54(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyclopropylbut-2-enoylamino)methyl]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(=CC(=O)N1CCC2=CC=CC=C2C1C(=O)O)C3CC3

DOS

IR

Vibrations