Geometry & MOs

Info

ID:	143322
PubChem CID:	53189108
Reduced:	ON4H16C17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	374.130028
ΔH_f, kcal/mol:	60.69
Dipole, Da:	2.99
IP(EA), eV:	-9.19(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methyl-2-phenylpiperazine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC=CN3C2=NC(=C3)C(=O)NC4CC4

DOS

IR

Vibrations