Geometry & MOs

Info

ID:	331251
PubChem CID:	127248658
Reduced:	O3N5C25H27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	420.196154
ΔH_f, kcal/mol:	-33.25
Dipole, Da:	4.31
IP(EA), eV:	-8.94(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)C(=O)COC3=CC=CC=C3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations