Geometry & MOs

Info

ID:	172449
PubChem CID:	75511965
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	457.13386
ΔH_f, kcal/mol:	-47.55
Dipole, Da:	1.28
IP(EA), eV:	-8.57(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-methylpyrazol-4-yl)butyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

COCCOC1=CC=C(C=C1)CN=C(N)N2CCCCC2

DOS

IR

Vibrations