Geometry & MOs

Info

ID:	140224
PubChem CID:	52665517
Reduced:	ClO3N4C24H30 (1)
Stoich.:	AB3C4D24E30 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-55.11
Dipole, Da:	7.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.066891
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@H](CNC(=O)NC2=CC(=C(C=C2)Cl)C(=O)NC3CC3)[NH+]4CCCC4

DOS

IR

Vibrations