Geometry & MOs

Info

ID:	198012
PubChem CID:	79031823
Reduced:	ClN2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	46.96
Dipole, Da:	1.68
IP(EA), eV:	-8.44(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NCC2=CC(=NC3=CC=CC=C32)C

DOS

IR

Vibrations