Geometry & MOs

Info

ID:	137031
PubChem CID:	52141885
Reduced:	O3N4C15H24 (1)
Stoich.:	A3B4C15D24 (1)
Weight, g/mol:	260.163711
ΔH_f, kcal/mol:	-114.06
Dipole, Da:	3.9
IP(EA), eV:	-8.88(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-butan-2-yl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1CN2CCC(CC2)O)N(C)C

DOS

IR

Vibrations