Geometry & MOs

Info

ID:	374826
PubChem CID:	131348434
Reduced:	ON2H10C12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	200.106196
ΔH_f, kcal/mol:	21.59
Dipole, Da:	5.76
IP(EA), eV:	-8.77(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-pyridin-3-ylpyrimidin-2-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(N1)C2=CC=C(C=C2)O)C#N

DOS

IR

Vibrations