Geometry & MOs

Info

ID:	246366
PubChem CID:	103059399
Reduced:	BrON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	278.199428
ΔH_f, kcal/mol:	17.26
Dipole, Da:	5.63
IP(EA), eV:	-8.83(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-methoxyphenyl)methyl-methylamino]methyl]-N-methyloxan-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC=C(N=C1)COC2=CC(=C(C=C2)Br)C

DOS

IR

Vibrations