Geometry & MOs

Info

ID:	291188
PubChem CID:	111925710
Reduced:	IO3N4C23H33 (1)
Stoich.:	AB3C4D23E33 (1)
Weight, g/mol:	471.14951
ΔH_f, kcal/mol:	-69.04
Dipole, Da:	12.64
IP(EA), eV:	-8.21(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[(4-propan-2-yloxyphenyl)methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCC1=CC(=CC=C1)COC)NC2CCN(C2)C3=CC(=CC(=C3)OC)OC.I

DOS

IR

Vibrations