Geometry & MOs

Info

ID:	267290
PubChem CID:	103581643
Reduced:	BrClN2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	319.03385
ΔH_f, kcal/mol:	49.1
Dipole, Da:	2.71
IP(EA), eV:	-9.52(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-bromo-3-chlorophenyl)methylamino]methyl]pentan-3-ol

Drug info:

PubChemData

Smile

C[C@H](C1=CN=CC=C1)NCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations