Geometry & MOs

Info

ID:	322268
PubChem CID:	126669572
Reduced:	OC24H28 (1)
Stoich.:	AB24C28 (1)
Weight, g/mol:	322.131742
ΔH_f, kcal/mol:	-38.85
Dipole, Da:	4.9
IP(EA), eV:	-8.98(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-(3-acetylnaphthalen-1-yl)pyrazol-1-yl]propanoate

Drug info:

PubChemData

Smile

CCCC1=C(C=CC(=C1)C2=C3C4CCC(C3=CC(=C2)C(=O)C)CC4)C

DOS

IR

Vibrations