Geometry & MOs

Info

ID:	417202
PubChem CID:	135091630
Reduced:	FO5N6C30H37 (1)
Stoich.:	AB5C6D30E37 (1)
Weight, g/mol:	298.168128
ΔH_f, kcal/mol:	-212.84
Dipole, Da:	9.86
IP(EA), eV:	-9.49(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-3-pyridin-3-ylpropan-1-amine

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)C3=C(C=NC=C3)F)CC4=CC=CC=C4)C(C)C

DOS

IR

Vibrations