Geometry & MOs

Info

ID:	290638
PubChem CID:	109793670
Reduced:	O2N5C23H33 (1)
Stoich.:	A2B5C23D33 (1)
Weight, g/mol:	569.17639
ΔH_f, kcal/mol:	-50.98
Dipole, Da:	3.28
IP(EA), eV:	-8.78(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CNC(=NC)NCC2=CC=C(C=C2)CN(C)C(=O)OC(C)(C)C

DOS

IR

Vibrations