Geometry & MOs

Info

ID:	288224
PubChem CID:	104313735
Reduced:	BrN2O2C15H17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	334.06808
ΔH_f, kcal/mol:	-22.94
Dipole, Da:	2.31
IP(EA), eV:	-8.65(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine

Drug info:

PubChemData

Smile

CNC(C1=CC(=CC(=C1)OC)OC)C2=C(C=CC=N2)Br

DOS

IR

Vibrations