Geometry & MOs

Info

ID:	277945
PubChem CID:	103832086
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	238.179361
ΔH_f, kcal/mol:	-26.66
Dipole, Da:	6.99
IP(EA), eV:	-9.03(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(1-pyrazol-1-ylpropan-2-yl)hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=CC=C(C=C1)C2=NN=CO2)N

DOS

IR

Vibrations