Geometry & MOs

Info

ID:	330092
PubChem CID:	127247079
Reduced:	OSN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	266.153147
ΔH_f, kcal/mol:	14.85
Dipole, Da:	4.49
IP(EA), eV:	-9.35(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)N2CCC(C2)C3=CC=NN3

DOS

IR

Vibrations