Geometry & MOs

Info

ID:	290714
PubChem CID:	109817224
Reduced:	ClFION4C18H25 (1)
Stoich.:	ABCDE4F18G25 (1)
Weight, g/mol:	462.16041
ΔH_f, kcal/mol:	-49.42
Dipole, Da:	3.59
IP(EA), eV:	-9.06(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NC)NC2CC2C3=C(C=CC=C3Cl)F.I

DOS

IR

Vibrations