Geometry & MOs

Info

ID:	157069
PubChem CID:	56422088
Reduced:	O3N4C24H30 (1)
Stoich.:	A3B4C24D30 (1)
Weight, g/mol:	422.130028
ΔH_f, kcal/mol:	-73.12
Dipole, Da:	4.79
IP(EA), eV:	-8.82(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C(C)C)C(=O)NCC3=C4C(=CC=C3)OCCO4)C(C)(C)C

DOS

IR

Vibrations