Geometry & MOs

Info

ID:	290688
PubChem CID:	109817099
Reduced:	O2N6C21H32 (1)
Stoich.:	A2B6C21D32 (1)
Weight, g/mol:	453.16007
ΔH_f, kcal/mol:	-62.67
Dipole, Da:	6.56
IP(EA), eV:	-8.86(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NC)NCC2=CC(=CC=C2)NC(=O)N3CCCC3

DOS

IR

Vibrations