Geometry & MOs

Info

ID:	129694
PubChem CID:	51073571
Reduced:	ON2C12H22 (1)
Stoich.:	AB2C12D22 (1)
Weight, g/mol:	306.157957
ΔH_f, kcal/mol:	-45.67
Dipole, Da:	3.81
IP(EA), eV:	-8.51(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]acetate

Drug info:

PubChemData

Smile

CC(=C)CN1CCC(CC1)C(=O)N(C)C

DOS

IR

Vibrations