Geometry & MOs

Info

ID:	294248
PubChem CID:	117442849
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-79.21
Dipole, Da:	5.73
IP(EA), eV:	-8.8(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)C1=CC=C(C=C1)CN2CCNCC2

DOS

IR

Vibrations