Geometry & MOs

Info

ID:	279780
PubChem CID:	103845173
Reduced:	NOCl2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	311.08848
ΔH_f, kcal/mol:	-66.55
Dipole, Da:	3.04
IP(EA), eV:	-9.31(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-4-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine

Drug info:

PubChemData

Smile

CCC(C)(CCO)NCC1=C(C=CC(=C1)Cl)Cl

DOS

IR

Vibrations