Geometry & MOs

Info

ID:	330178
PubChem CID:	127247165
Reduced:	N5C18H21 (1)
Stoich.:	A5B18C21 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	95.51
Dipole, Da:	1.37
IP(EA), eV:	-9.02(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-indol-3-yl)-1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)CC3=C(NN=C3)C4=CC=CC=C4

DOS

IR

Vibrations