Geometry & MOs

Info

ID:	331245
PubChem CID:	127248652
Reduced:	ON3C12H16 (2)
Stoich.:	AB3C12D16 (2)
Weight, g/mol:	424.258674
ΔH_f, kcal/mol:	-34.29
Dipole, Da:	6.68
IP(EA), eV:	-8.66(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-[2-(diethylamino)-2-oxoethyl]pyrrolidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)CC(=O)N3CCCCC3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations