Geometry & MOs

Info

ID:	131109
PubChem CID:	51157271
Reduced:	ClN3O3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	350.231791
ΔH_f, kcal/mol:	-81.51
Dipole, Da:	3.84
IP(EA), eV:	-8.87(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCCNC(=O)C2=CC(=C(C(=C2)Cl)OC)OC)C

DOS

IR

Vibrations