Geometry & MOs

Info

ID:	145611
PubChem CID:	53556856
Reduced:	N2O3C19H30 (1)
Stoich.:	A2B3C19D30 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-122.58
Dipole, Da:	7.3
IP(EA), eV:	-8.17(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-pyrazol-1-ylbutan-2-amine

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C(=CC(=C2)OC)CNCC3CCN(CC3)CCO

DOS

IR

Vibrations