Geometry & MOs

Info

ID:	277781
PubChem CID:	103830948
Reduced:	ON2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	266.210661
ΔH_f, kcal/mol:	-54.09
Dipole, Da:	3.25
IP(EA), eV:	-9.37(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N(CCCC)C1=CC=CC=C1)N

DOS

IR

Vibrations