Geometry & MOs

Info

ID:	245753
PubChem CID:	103023826
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	284.188863
ΔH_f, kcal/mol:	6.64
Dipole, Da:	4.54
IP(EA), eV:	-8.48(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-(1-methylpyrazol-4-yl)-4-phenylheptan-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N)C(=O)CCC2=CC=NN2C

DOS

IR

Vibrations