Geometry & MOs

Info

ID:	364375
PubChem CID:	127315552
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	358.180504
ΔH_f, kcal/mol:	-26.99
Dipole, Da:	7.75
IP(EA), eV:	-8.68(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-fluoro-1H-indole-2-carbonyl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2CCCN2C(=O)CC3=C4C=CC=CC4=NN3

DOS

IR

Vibrations