Geometry & MOs

Info

ID:	290711
PubChem CID:	109817210
Reduced:	IO2N5C19H30 (1)
Stoich.:	AB2C5D19E30 (1)
Weight, g/mol:	424.16991
ΔH_f, kcal/mol:	-61.44
Dipole, Da:	3.97
IP(EA), eV:	-9.3(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,4-dimethylpentyl)-2-methyl-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NC)NCCC2=CC(=CC=C2)C(=O)NC.I

DOS

IR

Vibrations