Geometry & MOs

Info

ID:	286967
PubChem CID:	104223689
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	290.083747
ΔH_f, kcal/mol:	-19.96
Dipole, Da:	4.82
IP(EA), eV:	-9.27(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)CN(CCC#N)C1=NC=C(C=N1)/C=C/C(=O)O

DOS

IR

Vibrations