Geometry & MOs

Info

ID:	270548
PubChem CID:	103637087
Reduced:	BrN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	266.199428
ΔH_f, kcal/mol:	-30.77
Dipole, Da:	3.51
IP(EA), eV:	-8.9(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-6-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenol

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)CNCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations