Geometry & MOs

Info

ID:	277874
PubChem CID:	103831466
Reduced:	O2N3C13H25 (1)
Stoich.:	A2B3C13D25 (1)
Weight, g/mol:	280.189926
ΔH_f, kcal/mol:	-106.41
Dipole, Da:	2.57
IP(EA), eV:	-9.55(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NCCCC(=O)NC1CC1)N

DOS

IR

Vibrations