Geometry & MOs

Info

ID:	331488
PubChem CID:	127248895
Reduced:	O3N6C19H26 (1)
Stoich.:	A3B6C19D26 (1)
Weight, g/mol:	402.206719
ΔH_f, kcal/mol:	-47.67
Dipole, Da:	3.24
IP(EA), eV:	-8.86(-0.64)
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-propan-2-yloxyethanone

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCOC(C1)C2=NC(=NC=C2C3=CN=CN=C3)N(C)C)OC

DOS

IR

Vibrations