Geometry & MOs

Info

ID:	364754
PubChem CID:	127316060
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	314.13789
ΔH_f, kcal/mol:	-88.42
Dipole, Da:	5.19
IP(EA), eV:	-9.11(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-4-yl-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NC=CN2)C(=O)C3COCCO3

DOS

IR

Vibrations