Geometry & MOs

Info

ID:	331335
PubChem CID:	127248742
Reduced:	O2N5C23H31 (1)
Stoich.:	A2B5C23D31 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-28.12
Dipole, Da:	4.38
IP(EA), eV:	-8.58(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C3CCCCC3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations