Geometry & MOs

Info

ID:	165484
PubChem CID:	74555703
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-90.29
Dipole, Da:	4.74
IP(EA), eV:	-8.61(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[3-(6-methoxynaphthalen-2-yl)pyrazolidin-4-yl]methyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC2C(=NC3=C(C2=O)C=C(C=C3)C(=O)OC)C

DOS

IR

Vibrations