Geometry & MOs

Info

ID:	83255
PubChem CID:	49857358
Reduced:	BClO2C12H22 (1)
Stoich.:	ABC2D12E22 (1)
Weight, g/mol:	441.227709
ΔH_f, kcal/mol:	-196.24
Dipole, Da:	4.07
IP(EA), eV:	-9.38(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[6-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1H-indazol-3-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C(=C\C(C)(C)C)/Cl

DOS

IR

Vibrations