Geometry & MOs

Info

ID:	200626
PubChem CID:	79416988
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-41.19
Dipole, Da:	4.73
IP(EA), eV:	-9.7(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-[(1-phenylpyrazol-4-yl)methyl]pentan-2-one

Drug info:

PubChemData

Smile

CC(C)C(CCC1=CN=CC=C1)C(=O)C

DOS

IR

Vibrations