Geometry & MOs

Info

ID:	331292
PubChem CID:	127248699
Reduced:	ON3C12H14 (2)
Stoich.:	AB3C12D14 (2)
Weight, g/mol:	422.186652
ΔH_f, kcal/mol:	2.73
Dipole, Da:	2.98
IP(EA), eV:	-8.94(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)N2CCC(C2)C3=NC(=NC=C3C4=CC(=CC=C4)OC)N(C)C)C

DOS

IR

Vibrations