Geometry & MOs

Info

ID:	225159
PubChem CID:	85747748
Reduced:	FN5H12C17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	365.02761
ΔH_f, kcal/mol:	98.69
Dipole, Da:	2.86
IP(EA), eV:	-9.21(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-bromopyridin-3-yl)methyl-pyrimidin-5-ylamino]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)N(CC2=CC(=CN=C2)F)C3=CN=CN=C3

DOS

IR

Vibrations