Geometry & MOs

Info

ID:	207387
PubChem CID:	80390615
Reduced:	NO2C16H29 (1)
Stoich.:	AB2C16D29 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-131.14
Dipole, Da:	2.64
IP(EA), eV:	-9.69(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutan-2-yl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)OC1CC2CCC1(C2(C)C)C)N

DOS

IR

Vibrations