Geometry & MOs

Info

ID:	290674
PubChem CID:	109817065
Reduced:	ClO2N5C19H28 (1)
Stoich.:	AB2C5D19E28 (1)
Weight, g/mol:	488.13967
ΔH_f, kcal/mol:	-74.53
Dipole, Da:	4.2
IP(EA), eV:	-8.96(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[N'-methyl-N-(1-propanoylpyrrolidin-3-yl)carbamimidoyl]amino]-N-(6-methylpyridin-2-yl)propanamide;hydroiodide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NC)NCCCC(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations