Geometry & MOs

Info

ID:	225158
PubChem CID:	85747746
Reduced:	PO3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	305.107674
ΔH_f, kcal/mol:	-190.5
Dipole, Da:	2.92
IP(EA), eV:	-9.82(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOP(=O)(C=CCCC(=C)C)OCC

DOS

IR

Vibrations