Geometry & MOs

Info

ID:	331432
PubChem CID:	127248839
Reduced:	O3N6C24H28 (1)
Stoich.:	A3B6C24D28 (1)
Weight, g/mol:	438.181567
ΔH_f, kcal/mol:	-28.95
Dipole, Da:	1.32
IP(EA), eV:	-8.5(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)N2CCOC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)OC)N(C)C)C

DOS

IR

Vibrations