Geometry & MOs

Info

ID:	331253
PubChem CID:	127248660
Reduced:	O3N4C25H28 (1)
Stoich.:	A3B4C25D28 (1)
Weight, g/mol:	434.206639
ΔH_f, kcal/mol:	-35.66
Dipole, Da:	4.06
IP(EA), eV:	-8.82(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethoxyphenyl)-[3-[2-(dimethylamino)-5-pyrimidin-5-ylpyrimidin-4-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)C(=O)C3=CC=CC=C3OC)C4=CC(=CC=C4)OC

DOS

IR

Vibrations