Geometry & MOs

Info

ID:	370655
PubChem CID:	127339814
Reduced:	OS2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	357.216475
ΔH_f, kcal/mol:	38.79
Dipole, Da:	2.44
IP(EA), eV:	-9.03(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-3-oxopropyl]-2,6-dimethyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=C(N=C(S3)C4=CC=CS4)C

DOS

IR

Vibrations