Geometry & MOs

Info

ID:	44848
PubChem CID:	10506162
Reduced:	O7C31H36 (1)
Stoich.:	A7B31C36 (1)
Weight, g/mol:	520.272593
ΔH_f, kcal/mol:	-227.73
Dipole, Da:	5.24
IP(EA), eV:	-8.6(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(3-methoxyphenyl)methyl]-4-tritylpiperazine-2-carboxylate

Drug info:

PubChemData

Smile

CCCC1=CC2=C(C(=C1)OC)OCC(OC3=C2C=C(C=C3OC)CCC)C4=CC(=C(C=C4)OC(=O)C)OC

DOS

IR

Vibrations