Geometry & MOs

Info

ID:	363157
PubChem CID:	127310190
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	317.148789
ΔH_f, kcal/mol:	-12.43
Dipole, Da:	5.8
IP(EA), eV:	-8.93(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=C2C(=C(SC2=NC=C1)C(=O)N3CCOC(C3)CN4C=C(C=N4)C)C

DOS

IR

Vibrations