Geometry & MOs

Info

ID:	59971
PubChem CID:	26512284
Reduced:	N3O5C19H30 (1)
Stoich.:	A3B5C19D30 (1)
Weight, g/mol:	379.210721
ΔH_f, kcal/mol:	-179.46
Dipole, Da:	7.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758934
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)C[NH+](C)CC2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations