Geometry & MOs

Info

ID:	19856
PubChem CID:	574141
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-37.58
Dipole, Da:	4.28
IP(EA), eV:	-8.84(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-(3-phenoxypropyl)-1,2-dihydropyrazol-3-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)NN1)CCCOC2=CC=CC=C2

DOS

IR

Vibrations