Geometry & MOs

Info

ID:	379418
PubChem CID:	134419377
Reduced:	ON5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	45.71
Dipole, Da:	7.34
IP(EA), eV:	-9.08(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-(1-hydroxy-2,2-dimethyl-1-pyrimidin-5-ylpropyl)pyridin-3-yl]-N-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2=CN=C(C=C2)C(C3=CN=CN=C3)(C(C)(C)C)O

DOS

IR

Vibrations