Geometry & MOs

Info

ID:	290686
PubChem CID:	109817090
Reduced:	IOSN5C20H28 (1)
Stoich.:	ABCD5E20F28 (1)
Weight, g/mol:	513.16007
ΔH_f, kcal/mol:	10.85
Dipole, Da:	5.54
IP(EA), eV:	-8.59(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[[N'-methyl-N-(1-propanoylpyrrolidin-3-yl)carbamimidoyl]amino]methyl]phenyl]cyclobutanecarboxamide;hydroiodide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NCC2=NC(=CS2)C3=CC=CC=C3)NCC.I

DOS

IR

Vibrations