Geometry & MOs

Info

ID:	43669
PubChem CID:	10321625
Reduced:	N2O5C26H32 (1)
Stoich.:	A2B5C26D32 (1)
Weight, g/mol:	452.231122
ΔH_f, kcal/mol:	-199.69
Dipole, Da:	4.39
IP(EA), eV:	-8.86(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[3-[(4Z)-4-(1,2-dihydropyrazol-3-ylidene)-6-ethyl-3-oxocyclohexa-1,5-dien-1-yl]oxypropoxy]-4-propylphenyl]propanoic acid

Drug info:

PubChemData

Smile

CCC1(C(N(C1=O)C(=O)NC2=CC=CC(=C2)C)OC3=CC=C(C=C3)C(=O)OC(C)(C)C)CC

DOS

IR

Vibrations