Geometry & MOs

Info

ID:	170212
PubChem CID:	75208542
Reduced:	O3N5C24H41 (1)
Stoich.:	A3B5C24D41 (1)
Weight, g/mol:	436.110232
ΔH_f, kcal/mol:	-166.85
Dipole, Da:	3.4
IP(EA), eV:	-9.44(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide

Drug info:

PubChemData

Smile

CCCCN1C2C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3CCCC(C3C)C)CC(C)C

DOS

IR

Vibrations