Geometry & MOs

Info

ID:	37818
PubChem CID:	8024820
Reduced:	ClN2O3C20H31 (1)
Stoich.:	AB2C3D20E31 (1)
Weight, g/mol:	312.12675
ΔH_f, kcal/mol:	27.36
Dipole, Da:	9.85
IP(EA), eV:	-5.66(0.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC(C)C[NH+]1CCO[C@@H](C1)C[NH2+]CC2=CC(=C(C(=C2)Cl)OCC#C)OC

DOS

IR

Vibrations