Geometry & MOs

Info

ID:	362001
PubChem CID:	127305347
Reduced:	SO2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	303.133139
ΔH_f, kcal/mol:	-3.82
Dipole, Da:	6.07
IP(EA), eV:	-8.94(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations