Geometry & MOs

Info

ID:	88695
PubChem CID:	49956116
Reduced:	Cl3N4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	362.152296
ΔH_f, kcal/mol:	235.21
Dipole, Da:	7.81
IP(EA), eV:	-8.28(-6.81)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)CNCCCN4C=CN=C4)Cl.[Cl-].[Cl-]

DOS

IR

Vibrations