Geometry & MOs

Info

ID:	286965
PubChem CID:	104223684
Reduced:	O2N4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	289.103811
ΔH_f, kcal/mol:	-46.01
Dipole, Da:	10.48
IP(EA), eV:	-8.78(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[propyl(2,2,2-trifluoroethyl)amino]pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)CN(CCN(C)C)C1=NC=C(C=N1)/C=C/C(=O)O

DOS

IR

Vibrations