Geometry & MOs

Info

ID:	290863
PubChem CID:	111366694
Reduced:	IO2N5C20H34 (1)
Stoich.:	AB2C5D20E34 (1)
Weight, g/mol:	455.15459
ΔH_f, kcal/mol:	-43.19
Dipole, Da:	4.89
IP(EA), eV:	-9.05(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-tert-butylphenyl)methyl]-1,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN1CCN(CC1)C(=NCC(=C)C)NCCC2=CC=CO2.I

DOS

IR

Vibrations