Geometry & MOs

Info

ID:	331471
PubChem CID:	127248878
Reduced:	O2N6C25H32 (1)
Stoich.:	A2B6C25D32 (1)
Weight, g/mol:	448.227454
ΔH_f, kcal/mol:	8.57
Dipole, Da:	5.26
IP(EA), eV:	-8.42(-0.6)
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-(3,4-dimethylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1CN2CCOC(C2)C3=NC(=NC=C3C4=CN=CN=C4)N(C)C)C)C)OC

DOS

IR

Vibrations