Geometry & MOs

Info

ID:	291466
PubChem CID:	112428653
Reduced:	O2F3N6C20H31 (1)
Stoich.:	A2B3C6D20E31 (1)
Weight, g/mol:	522.16041
ΔH_f, kcal/mol:	-213.48
Dipole, Da:	9.62
IP(EA), eV:	-9.13(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-cyclopentylpyrazol-3-yl)methyl]-1-ethyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-4-yl)methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCCOC1=NC=C(C=C1)C(F)(F)F)NC2CCN(CC2)CC(=O)N(C)C

DOS

IR

Vibrations