Geometry & MOs

Info

ID:	331322
PubChem CID:	127248729
Reduced:	ON6C25H32 (1)
Stoich.:	AB6C25D32 (1)
Weight, g/mol:	408.227374
ΔH_f, kcal/mol:	51.57
Dipole, Da:	3.05
IP(EA), eV:	-8.63(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)COC1=CC=CC=C1CN2CCC(C2)C3=NC(=NC=C3C4=CN=CN=C4)N(C)C

DOS

IR

Vibrations