Geometry & MOs

Info

ID:	444328
PubChem CID:	135262087
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	413.206304
ΔH_f, kcal/mol:	-84.15
Dipole, Da:	7.53
IP(EA), eV:	-8.56(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-1,5-dimethylpyrazol-4-yl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C=C1CN(C(=O)C2=C1C=C(C=C2)N3CCNCC3)C4CCC(=O)NC4=O

DOS

IR

Vibrations