Geometry & MOs

Info

ID:	330130
PubChem CID:	127247117
Reduced:	ON6C16H16 (1)
Stoich.:	AB6C16D16 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	81.01
Dipole, Da:	6.9
IP(EA), eV:	-9.99(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,2-dimethylindol-3-yl)-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=NN2)C(=O)C3=CC(=CC=C3)N4C=NN=C4

DOS

IR

Vibrations