Geometry & MOs

Info

ID:	286919
PubChem CID:	104223532
Reduced:	O2N3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	221.116427
ΔH_f, kcal/mol:	-7.12
Dipole, Da:	7.48
IP(EA), eV:	-9.15(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C3=NC=C(C=N3)/C=C/C(=O)O

DOS

IR

Vibrations