Geometry & MOs

Info

ID:	330355
PubChem CID:	127247342
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	-62.61
Dipole, Da:	3.69
IP(EA), eV:	-8.77(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-5-yl-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations