Geometry & MOs

Info

ID:	172356
PubChem CID:	75497563
Reduced:	NC3H3 (4)
Stoich.:	AB3C3 (4)
Weight, g/mol:	321.205242
ΔH_f, kcal/mol:	114.8
Dipole, Da:	7.56
IP(EA), eV:	-8.4(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(5-tert-butyl-2-methylpyrazole-3-carbonyl)piperidin-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC#CCNC1=CC=C(C=C1)N2C=NC=N2

DOS

IR

Vibrations