Geometry & MOs

Info

ID:	332953
PubChem CID:	127251377
Reduced:	O3N6C23H26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	436.222289
ΔH_f, kcal/mol:	-52.32
Dipole, Da:	6.22
IP(EA), eV:	-9.22(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-1-[3-[2-[6-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]-3-oxopropyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CCN3C(=CC(=NC3=O)C)C)C4=CN=CN=C4

DOS

IR

Vibrations