Geometry & MOs

Info

ID:	73351
PubChem CID:	48417490
Reduced:	O2N4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	320.127326
ΔH_f, kcal/mol:	-31.59
Dipole, Da:	4.64
IP(EA), eV:	-9.44(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4-naphthalen-1-yloxybutanoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)COCCC(=O)N1C(=C(C=N1)C#N)N

DOS

IR

Vibrations