Geometry & MOs

Info

ID:	331244
PubChem CID:	127248651
Reduced:	ON5C25H29 (1)
Stoich.:	AB5C25D29 (1)
Weight, g/mol:	436.258674
ΔH_f, kcal/mol:	37.57
Dipole, Da:	5.9
IP(EA), eV:	-8.83(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)-4-[1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-3-yl]pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)CCC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations