Geometry & MOs

Info

ID:	331421
PubChem CID:	127248828
Reduced:	ON2C8H8 (3)
Stoich.:	AB2C8D8 (3)
Weight, g/mol:	415.238353
ΔH_f, kcal/mol:	7.46
Dipole, Da:	5.36
IP(EA), eV:	-8.88(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethylamino)-1-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)C=CC(=C2)C(=O)N3CCOC(C3)C4=NC(=NC=C4C5=CN=CN=C5)N(C)C

DOS

IR

Vibrations