Geometry & MOs

Info

ID:	325983
PubChem CID:	126685898
Reduced:	OF5N7H22C23 (1)
Stoich.:	AB5C7D22E23 (1)
Weight, g/mol:	300.133474
ΔH_f, kcal/mol:	-165.15
Dipole, Da:	9.32
IP(EA), eV:	-9.03(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyanomethyl)-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazol-1-yl]azetidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=NN1)C2=C(N(N=C2)C3(CN(C3)C4=C(C=C(C(=C4)F)C(=O)N[C@@H](C)C(F)(F)F)F)CC#N)C

DOS

IR

Vibrations