Geometry & MOs

Info

ID:	271978
PubChem CID:	103707731
Reduced:	NO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	321.01312
ΔH_f, kcal/mol:	-81.77
Dipole, Da:	1.88
IP(EA), eV:	-8.97(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-bromo-5-chlorophenyl)methylamino]-4-methoxybutan-1-ol

Drug info:

PubChemData

Smile

COCC(CCO)NCC1=CC2=C(CCC2)C=C1

DOS

IR

Vibrations