Geometry & MOs

Info

ID:	255253
PubChem CID:	103130932
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	-17.87
Dipole, Da:	3.45
IP(EA), eV:	-8.84(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-3-yl-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CCNC(C1CCCOC1)C2=NN(C=C2)C

DOS

IR

Vibrations