Geometry & MOs

Info

ID:	283760
PubChem CID:	104004501
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	240.12224
ΔH_f, kcal/mol:	-118.34
Dipole, Da:	7.04
IP(EA), eV:	-9.97(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC(C1=CNN=C1)NC(=O)NC2(CCCCC2)C(=O)O

DOS

IR

Vibrations