Geometry & MOs

Info

ID:	286956
PubChem CID:	104223642
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	289.088498
ΔH_f, kcal/mol:	-25.39
Dipole, Da:	8.87
IP(EA), eV:	-9.01(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[methyl(1-thiophen-2-ylethyl)amino]pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CC2CC1CN2C3=NC=C(C=N3)/C=C/C(=O)O

DOS

IR

Vibrations