Geometry & MOs

Info

ID:	233494
PubChem CID:	90944866
Reduced:	O11C32H35 (1)
Stoich.:	A11B32C35 (1)
Weight, g/mol:	355.168462
ΔH_f, kcal/mol:	-348.82
Dipole, Da:	6.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.791004
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(3-methylphenyl)acetyl]pyrazolidin-1-yl]naphthalene-1-carbonitrile

Drug info:

PubChemData

Smile

CC.CC(=C)C(=O)CC(COC(=O)C1=CC=CC=C1C(=O)OCC(CC(=O)C(=C)C)OC(=O)C2=CC=CC=C2C(=O)[O-])O

DOS

IR

Vibrations