Geometry & MOs

Info

ID:	290651
PubChem CID:	109816952
Reduced:	ClION4C19H30 (1)
Stoich.:	ABCD4E19F30 (1)
Weight, g/mol:	506.13094
ΔH_f, kcal/mol:	-35.62
Dipole, Da:	2.45
IP(EA), eV:	-9.43(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-chlorophenyl)-2-methylpropyl]-1-ethyl-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NC)NCC(C)(C)C2=CC=CC=C2Cl.I

DOS

IR

Vibrations