Geometry & MOs

Info

ID:	372572
PubChem CID:	131299947
Reduced:	N2O2C9H10 (1)
Stoich.:	A2B2C9D10 (1)
Weight, g/mol:	234.093918
ΔH_f, kcal/mol:	-51.01
Dipole, Da:	2.79
IP(EA), eV:	-9.62(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(N1)C(=O)O)CCC#N

DOS

IR

Vibrations