Geometry & MOs

Info

ID:	181251
PubChem CID:	76722704
Reduced:	FON7C30H32 (1)
Stoich.:	ABC7D30E32 (1)
Weight, g/mol:	449.186318
ΔH_f, kcal/mol:	42.54
Dipole, Da:	4.29
IP(EA), eV:	-8.26(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[4-(3-fluoropyridin-4-yl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C=C(N=C1N2CCNC(C2)C3=CC=C(C=C3)N4CCN(CC4)C5=CC=CC=C5)C6=C(C=NC=C6)F

DOS

IR

Vibrations