Geometry & MOs

Info

ID:	276147
PubChem CID:	103820947
Reduced:	ClN2O3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	-149.65
Dipole, Da:	3.16
IP(EA), eV:	-8.33(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(1H-indazol-4-ylamino)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)Cl)NC2CCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations