Geometry & MOs

Info

ID:	126765
PubChem CID:	50977405
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	377.140723
ΔH_f, kcal/mol:	-144.34
Dipole, Da:	5.73
IP(EA), eV:	-8.37(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-methyl-3-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)indazole

Drug info:

PubChemData

Smile

CCCC(=O)NC1=C(C=C2C(=C1)C(CC(=O)N2)C3=CC=C(O3)CC)OC

DOS

IR

Vibrations