Geometry & MOs

Info

ID:	342354
PubChem CID:	127265177
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	239.152144
ΔH_f, kcal/mol:	-90.9
Dipole, Da:	3.18
IP(EA), eV:	-9.49(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyclopropylbut-2-enoylamino)-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(=CC(=O)NC1(CC2=CC=CC=C2C1)C(=O)O)C3CC3

DOS

IR

Vibrations