Geometry & MOs

Info

ID:	169089
PubChem CID:	75062084
Reduced:	ClO3N5C22H22 (1)
Stoich.:	AB3C5D22E22 (1)
Weight, g/mol:	518.172083
ΔH_f, kcal/mol:	3.82
Dipole, Da:	5.82
IP(EA), eV:	-8.71(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-chloro-7-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methylideneamino]-2-[2-(2-phenylpyrazol-3-yl)phenoxy]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CC(NN2)C(=O)NN=CC3=C(N=C4C=CC(=CC4=C3)OC)Cl

DOS

IR

Vibrations