Geometry & MOs

Info

ID:	137030
PubChem CID:	52141740
Reduced:	NOSC10H19 (1)
Stoich.:	ABCD10E19 (1)
Weight, g/mol:	308.184841
ΔH_f, kcal/mol:	-60.2
Dipole, Da:	3.18
IP(EA), eV:	-8.58(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(dimethylamino)-4-[(4-hydroxypiperidin-1-yl)methyl]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)CN1CCSCC1

DOS

IR

Vibrations