Geometry & MOs

Info

ID:	46058
PubChem CID:	10520923
Reduced:	NO3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	337.073038
ΔH_f, kcal/mol:	-84.84
Dipole, Da:	5.05
IP(EA), eV:	-8.75(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-azido-3-[(4-chlorophenyl)methyl]-1-phenylpyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2[C@H](C3=CC=CC=C3N1C(=O)C4=CC=C(C=C4)C)OCCCO2

DOS

IR

Vibrations