Geometry & MOs

Info

ID:	290670
PubChem CID:	109817047
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	501.16007
ΔH_f, kcal/mol:	-7.04
Dipole, Da:	3.05
IP(EA), eV:	-8.81(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[4-[[[N'-methyl-N-(1-propanoylpyrrolidin-3-yl)carbamimidoyl]amino]methyl]phenyl]propanamide;hydroiodide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NCC(=O)NC2=CC=CC(=C2)C#C)NCC

DOS

IR

Vibrations