Geometry & MOs

Info

ID:	45946
PubChem CID:	10519518
Reduced:	OPCl2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	316.074533
ΔH_f, kcal/mol:	-88.29
Dipole, Da:	6.22
IP(EA), eV:	-9.36(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(2,4-dichlorophenyl)methyl]piperazine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)[P@]2(=O)C[C@@H]3[C@](C2)(C3(Cl)Cl)C)C

DOS

IR

Vibrations