Geometry & MOs

Info

ID:	41489
PubChem CID:	8145963
Reduced:	SO2N5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	405.079953
ΔH_f, kcal/mol:	45.32
Dipole, Da:	8.79
IP(EA), eV:	-8.37(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-[4-(4-chlorophenyl)-5-methyl-2-phenylpyrazol-3-yl]methanimine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations