Geometry & MOs

Info

ID:	290652
PubChem CID:	109816954
Reduced:	ClION4C20H32 (1)
Stoich.:	ABCD4E20F32 (1)
Weight, g/mol:	360.216141
ΔH_f, kcal/mol:	-43.86
Dipole, Da:	3.39
IP(EA), eV:	-9.1(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-benzodioxol-5-yl)ethyl]-1-ethyl-3-(1-propanoylpyrrolidin-3-yl)guanidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations