Geometry & MOs

Info

ID:	167085
PubChem CID:	74778346
Reduced:	ClON4C23H30 (1)
Stoich.:	ABC4D23E30 (1)
Weight, g/mol:	381.162332
ΔH_f, kcal/mol:	14.26
Dipole, Da:	5.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757200
Charge, e:	0

Chem-info

IUPAC name:

[5-(indol-1-ylmethyl)pyrazolidin-3-yl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCN1C=C(C(=N1)C)C2CC3CN(C(=O)C34[NH+]2CCC4)CC5=CC(=CC=C5)Cl

DOS

IR

Vibrations