Geometry & MOs

Info

ID:	290682
PubChem CID:	109817081
Reduced:	ClON4C17H25 (1)
Stoich.:	ABC4D17E25 (1)
Weight, g/mol:	359.212139
ΔH_f, kcal/mol:	-27.64
Dipole, Da:	1.91
IP(EA), eV:	-9.24(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-(1-propanoylpyrrolidin-3-yl)guanidine

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NC)NCCC2=CC=CC=C2Cl

DOS

IR

Vibrations