Geometry & MOs

Info

ID:	279743
PubChem CID:	103844970
Reduced:	NOCl2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	299.08848
ΔH_f, kcal/mol:	-68.92
Dipole, Da:	2.87
IP(EA), eV:	-9.24(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-4-methylphenyl)methyl]-5-methoxypentan-1-amine

Drug info:

PubChemData

Smile

CC(C)CC(CNCC1=C(C=CC(=C1)Cl)Cl)O

DOS

IR

Vibrations