Geometry & MOs

Info

ID:	331334
PubChem CID:	127248741
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	409.247775
ΔH_f, kcal/mol:	-25.0
Dipole, Da:	7.8
IP(EA), eV:	-8.65(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C3CCCC3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations