Geometry & MOs

Info

ID:	290654
PubChem CID:	109816965
Reduced:	O3N4C22H34 (1)
Stoich.:	A3B4C22D34 (1)
Weight, g/mol:	522.08947
ΔH_f, kcal/mol:	-114.25
Dipole, Da:	3.91
IP(EA), eV:	-8.54(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methyl-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NCC2=C(C=C3CC(OC3=C2)C)OCC)NCC

DOS

IR

Vibrations