Geometry & MOs

Info

ID:	145015
PubChem CID:	53448258
Reduced:	NOC7H7 (4)
Stoich.:	ABC7D7 (4)
Weight, g/mol:	418.211724
ΔH_f, kcal/mol:	-7.79
Dipole, Da:	5.55
IP(EA), eV:	-8.68(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-(2-methoxyphenyl)pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2C3C(NNC3OC(=C2C#N)N)C4=CC=C(C=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations