Geometry & MOs

Info

ID:	270556
PubChem CID:	103637101
Reduced:	BrON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	353.0182
ΔH_f, kcal/mol:	-33.52
Dipole, Da:	6.37
IP(EA), eV:	-8.68(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[1-(4-chlorophenyl)propylamino]methyl]phenol

Drug info:

PubChemData

Smile

C1CCN(CC1)CCNCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations