Geometry & MOs

Info

ID:	290659
PubChem CID:	109816977
Reduced:	ClO3N4C20H31 (1)
Stoich.:	AB3C4D20E31 (1)
Weight, g/mol:	511.20194
ΔH_f, kcal/mol:	-108.76
Dipole, Da:	3.34
IP(EA), eV:	-8.77(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[1-[[ethylamino-[(1-propanoylpyrrolidin-3-yl)amino]methylidene]amino]-4-methylpentan-2-yl]carbamate;hydroiodide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NCC2=CC(=C(C(=C2)Cl)OCC)OC)NCC

DOS

IR

Vibrations