Geometry & MOs

Info

ID:	145178
PubChem CID:	53474336
Reduced:	NSi3O4C29H57 (1)
Stoich.:	AB3C4D29E57 (1)
Weight, g/mol:	353.189198
ΔH_f, kcal/mol:	-358.81
Dipole, Da:	3.52
IP(EA), eV:	-8.67(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations