Geometry & MOs

Info

ID:	9676
PubChem CID:	92238
Reduced:	N2O2C11H14 (1)
Stoich.:	A2B2C11D14 (1)
Weight, g/mol:	206.105528
ΔH_f, kcal/mol:	-47.4
Dipole, Da:	3.56
IP(EA), eV:	-9.02(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one

Drug info:

PubChemData

Smile

CC1(CN(NC1=O)C2=CC=CC=C2)CO

DOS

IR

Vibrations