Geometry & MOs

Info

ID:	248688
PubChem CID:	103083638
Reduced:	BrN3C16H20 (1)
Stoich.:	AB3C16D20 (1)
Weight, g/mol:	347.09971
ΔH_f, kcal/mol:	36.16
Dipole, Da:	2.78
IP(EA), eV:	-8.76(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-bromo-2-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CCNC(C1=C(C=C(C=C1)Br)C)C2=C(N=CC(=C2)C)N

DOS

IR

Vibrations