Geometry & MOs

Info

ID:	290710
PubChem CID:	109817204
Reduced:	IOSN4C16H27 (1)
Stoich.:	ABCD4E16F27 (1)
Weight, g/mol:	487.14442
ΔH_f, kcal/mol:	-23.7
Dipole, Da:	5.75
IP(EA), eV:	-8.93(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[2-[[N'-methyl-N-(1-propanoylpyrrolidin-3-yl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NC)NCC(C)C2=CC=CS2.I

DOS

IR

Vibrations