Geometry & MOs

Info

ID:	290684
PubChem CID:	109817084
Reduced:	IO3N5C17H26 (1)
Stoich.:	AB3C5D17E26 (1)
Weight, g/mol:	442.12296
ΔH_f, kcal/mol:	16.98
Dipole, Da:	6.64
IP(EA), eV:	-8.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(2-phenylcyclopropyl)-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NCC2=CC=CC=C2[N+](=O)[O-])NCC.I

DOS

IR

Vibrations