Geometry & MOs

Info

ID:	331940
PubChem CID:	127250226
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	436.191069
ΔH_f, kcal/mol:	-40.35
Dipole, Da:	2.37
IP(EA), eV:	-8.93(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[5-[(4-fluorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=CN=C(C=C2)C3CN(CCO3)C(=O)CN(C)C

DOS

IR

Vibrations