Geometry & MOs

Info

ID:	343505
PubChem CID:	127266678
Reduced:	O3N5C14H17 (1)
Stoich.:	A3B5C14D17 (1)
Weight, g/mol:	284.088495
ΔH_f, kcal/mol:	-76.54
Dipole, Da:	3.52
IP(EA), eV:	-9.32(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1C)NCCN2C=NC=CC2=O

DOS

IR

Vibrations