Geometry & MOs

Info

ID:	331301
PubChem CID:	127248708
Reduced:	O2N6C23H26 (1)
Stoich.:	A2B6C23D26 (1)
Weight, g/mol:	448.227454
ΔH_f, kcal/mol:	9.37
Dipole, Da:	2.89
IP(EA), eV:	-8.67(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(2,6-dimethylphenoxy)ethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)C(=O)C3=C(N=CC=C3)N)C4=CC=C(C=C4)OC

DOS

IR

Vibrations