Geometry & MOs

Info

ID:	220747
PubChem CID:	85230839
Reduced:	O2C15H16 (1)
Stoich.:	A2B15C16 (1)
Weight, g/mol:	232.157563
ΔH_f, kcal/mol:	-49.76
Dipole, Da:	6.74
IP(EA), eV:	-9.36(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-methyl-5-(1-phenylethyl)pyrazolidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCOC2=CC(=O)C(C12)C3=CC=CC=C3

DOS

IR

Vibrations