Geometry & MOs

Info

ID:	135765
PubChem CID:	51932214
Reduced:	N2O3C23H28 (1)
Stoich.:	A2B3C23D28 (1)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	-84.38
Dipole, Da:	1.9
IP(EA), eV:	-8.69(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxy-5-methylphenyl)-4-[(2R)-4-methyl-2-phenylpiperazin-1-yl]butane-1,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)N2CCN(C[C@@H]2C3=CC=CC=C3)C

DOS

IR

Vibrations