Geometry & MOs

Info

ID:	329977
PubChem CID:	127246964
Reduced:	ON6C16H22 (1)
Stoich.:	AB6C16D22 (1)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	17.69
Dipole, Da:	6.92
IP(EA), eV:	-8.95(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydroindol-1-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CC(=O)N2CCCC2C3=CN=CC(=N3)NC

DOS

IR

Vibrations