Geometry & MOs

Info

ID:	167263
PubChem CID:	74799172
Reduced:	ClNO2C20H23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	392.245036
ΔH_f, kcal/mol:	-17.28
Dipole, Da:	23.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.022050
Charge, e:	1

Chem-info

IUPAC name:

[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl-methyl-(2-pyrazolidin-4-ylethyl)azanium

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C[NH+]2CCCC(C2)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations