Geometry & MOs

Info

ID:	361711
PubChem CID:	127304526
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	-21.01
Dipole, Da:	3.13
IP(EA), eV:	-9.01(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)C3=CC4=C(N=C3)ON=C4C(C)C)C

DOS

IR

Vibrations