Geometry & MOs

Info

ID:	277345
PubChem CID:	103827984
Reduced:	NOC15H31 (1)
Stoich.:	ABC15D31 (1)
Weight, g/mol:	329.09904
ΔH_f, kcal/mol:	-108.79
Dipole, Da:	1.71
IP(EA), eV:	-8.95(2.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-bromo-5-methoxyphenyl)methylamino]-3-ethylpentan-2-ol

Drug info:

PubChemData

Smile

CCC(CC)C(CNC1CC(CC(C1)C)C)O

DOS

IR

Vibrations