Geometry & MOs

Info

ID:	285504
PubChem CID:	104109937
Reduced:	ClNOC11H24 (1)
Stoich.:	ABCD11E24 (1)
Weight, g/mol:	319.03385
ΔH_f, kcal/mol:	-92.1
Dipole, Da:	3.54
IP(EA), eV:	-9.12(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-methoxyphenyl)methyl]-4-chloropentan-2-amine

Drug info:

PubChemData

Smile

CCCCOCCNC(C)CC(C)Cl

DOS

IR

Vibrations