Geometry & MOs

Info

ID:	290672
PubChem CID:	109817056
Reduced:	IO2N5C19H38 (1)
Stoich.:	AB2C5D19E38 (1)
Weight, g/mol:	521.10545
ΔH_f, kcal/mol:	-105.3
Dipole, Da:	5.51
IP(EA), eV:	-8.4(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-4-[[N'-methyl-N-(1-propanoylpyrrolidin-3-yl)carbamimidoyl]amino]butanamide;hydroiodide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NCC(C(C)C)N2CCOCC2)NCC.I

DOS

IR

Vibrations