Geometry & MOs

Info

ID:	291313
PubChem CID:	111978581
Reduced:	IN5C23H30 (1)
Stoich.:	AB5C23D30 (1)
Weight, g/mol:	495.18589
ΔH_f, kcal/mol:	87.69
Dipole, Da:	4.07
IP(EA), eV:	-8.65(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-tert-butylphenyl)methyl]-N'-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=CC2=CC=CC=C21)N3CCC(C3)CC4=CN(N=C4)C.I

DOS

IR

Vibrations