Geometry & MOs

Info

ID:	280674
PubChem CID:	103850645
Reduced:	N3O4C10H17 (1)
Stoich.:	A3B4C10D17 (1)
Weight, g/mol:	297.168856
ΔH_f, kcal/mol:	-155.59
Dipole, Da:	1.09
IP(EA), eV:	-9.92(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=NNC(=O)CC1

DOS

IR

Vibrations