Geometry & MOs

Info

ID:	273279
PubChem CID:	103770814
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	295.189592
ΔH_f, kcal/mol:	-90.21
Dipole, Da:	5.01
IP(EA), eV:	-9.83(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-6-methyl-4-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C(=O)NCC(CC(C)C)O

DOS

IR

Vibrations