Geometry & MOs

Info

ID:	172548
PubChem CID:	75524301
Reduced:	BrF2O2N3H14C15 (1)
Stoich.:	AB2C2D3E14F15 (1)
Weight, g/mol:	341.152812
ΔH_f, kcal/mol:	-126.33
Dipole, Da:	2.6
IP(EA), eV:	-9.14(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxynaphthalen-1-yl)methyl]-5-pyridin-2-ylpyridin-2-amine

Drug info:

PubChemData

Smile

CNC(=O)C1=NC(=CC=C1)NCC2=CC(=C(C=C2)OC(F)F)Br

DOS

IR

Vibrations