Geometry & MOs

Info

ID:	331333
PubChem CID:	127248740
Reduced:	FO2N4C21H27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-86.91
Dipole, Da:	2.49
IP(EA), eV:	-8.91(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-cyclopentylmorpholin-2-yl)-2-(dimethylamino)pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)OCC(=O)N1CCC(C1)C2=NC(=NC=C2C3=CC(=CC=C3)F)N(C)C

DOS

IR

Vibrations