Geometry & MOs

Info

ID:	137032
PubChem CID:	52142011
Reduced:	ON4C14H20 (1)
Stoich.:	AB4C14D20 (1)
Weight, g/mol:	246.148061
ΔH_f, kcal/mol:	-5.89
Dipole, Da:	6.43
IP(EA), eV:	-9.55(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)C1=NC(=O)C=C(N1)CN2C(=CC(=N2)C)C

DOS

IR

Vibrations