Geometry & MOs

Info

ID:	278071
PubChem CID:	103833134
Reduced:	ON4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	224.163711
ΔH_f, kcal/mol:	-29.38
Dipole, Da:	2.42
IP(EA), eV:	-8.28(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-methylpentanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NC1=CN(N=C1C)C)N

DOS

IR

Vibrations