Geometry & MOs

Info

ID:	290599
PubChem CID:	109763232
Reduced:	IO2N5C19H34 (1)
Stoich.:	AB2C5D19E34 (1)
Weight, g/mol:	550.19171
ΔH_f, kcal/mol:	-58.5
Dipole, Da:	4.89
IP(EA), eV:	-9.29(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-imidazol-1-yl-4-methyl-N'-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1(CCOCC1)OC)N2CCC(C(C2)N3C=CN=C3)C.I

DOS

IR

Vibrations