Geometry & MOs

Info

ID:	165712
PubChem CID:	74586165
Reduced:	N3O4C23H25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	457.176834
ΔH_f, kcal/mol:	-97.15
Dipole, Da:	9.02
IP(EA), eV:	-8.53(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CC[NH+](CC1)C(C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)[O-]

DOS

IR

Vibrations