Geometry & MOs

Info

ID:	276242
PubChem CID:	103821575
Reduced:	ON3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-6.2
Dipole, Da:	4.6
IP(EA), eV:	-8.78(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-(1H-pyrazol-5-ylmethylamino)propanoate

Drug info:

PubChemData

Smile

CC1=CN2C(=NC=C2CN[C@@H](C)CO)C=C1

DOS

IR

Vibrations