Geometry & MOs

Info

ID:	14018
PubChem CID:	401555
Reduced:	ClN3H14C17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	295.087625
ΔH_f, kcal/mol:	103.99
Dipole, Da:	1.69
IP(EA), eV:	-8.8(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)N=CC2=CC=C(C=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations