Geometry & MOs

Info

ID:	396895
PubChem CID:	135029400
Reduced:	ClN2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	265.170474
ΔH_f, kcal/mol:	48.38
Dipole, Da:	3.4
IP(EA), eV:	-9.21(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5R)-3,5-dimethyl-1-(4-methylphenyl)-5-phenyl-1,4-dihydropyrazol-1-ium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N=NC(C)(C[C@H](C)C2=CC=CC=C2)Cl

DOS

IR

Vibrations