Geometry & MOs

Info

ID:	331453
PubChem CID:	127248860
Reduced:	ON6C25H36 (1)
Stoich.:	AB6C25D36 (1)
Weight, g/mol:	442.238019
ΔH_f, kcal/mol:	20.62
Dipole, Da:	3.84
IP(EA), eV:	-8.72(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)CCN2CCOC(C2)C3=NC(=NC=C3C4=CN=CN=C4)N(C)C

DOS

IR

Vibrations