Geometry & MOs

Info

ID:	288305
PubChem CID:	104314875
Reduced:	OBr2N2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	397.98162
ΔH_f, kcal/mol:	10.61
Dipole, Da:	2.6
IP(EA), eV:	-8.73(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dibromopyridin-2-yl)-(2,4-dimethylphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(CC1=CC(=CC=C1)OC)C2=C(C=C(C=N2)Br)Br

DOS

IR

Vibrations