Geometry & MOs

Info

ID:	332951
PubChem CID:	127251375
Reduced:	O3N6C22H24 (1)
Stoich.:	A3B6C22D24 (1)
Weight, g/mol:	422.206639
ΔH_f, kcal/mol:	-45.86
Dipole, Da:	4.74
IP(EA), eV:	-9.44(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CN3C(=CC(=NC3=O)C)C)C4=CN=CN=C4

DOS

IR

Vibrations