Geometry & MOs

Info

ID:	315133
PubChem CID:	126624569
Reduced:	NO3C14H27 (1)
Stoich.:	AB3C14D27 (1)
Weight, g/mol:	530.300539
ΔH_f, kcal/mol:	-165.43
Dipole, Da:	2.57
IP(EA), eV:	-9.17(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-(4-benzylpyrazol-1-yl)-7-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl]-2-(2-methylpropoxy)acetic acid

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C(O)OC(C)(C)C)OCC=C

DOS

IR

Vibrations