Geometry & MOs

Info

ID:	290657
PubChem CID:	109816973
Reduced:	O3N6C18H28 (1)
Stoich.:	A3B6C18D28 (1)
Weight, g/mol:	533.1663
ΔH_f, kcal/mol:	-29.86
Dipole, Da:	8.64
IP(EA), eV:	-8.86(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NCCNC2=CC=C(C=C2)[N+](=O)[O-])NCC

DOS

IR

Vibrations