Geometry & MOs

Info

ID:	273159
PubChem CID:	103770600
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	311.166748
ΔH_f, kcal/mol:	-77.04
Dipole, Da:	5.77
IP(EA), eV:	-8.69(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethyl-2-hydroxypentyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)C1=CN(C2=CC=CC=C21)C)O

DOS

IR

Vibrations