Geometry & MOs

Info

ID:	331424
PubChem CID:	127248831
Reduced:	O3N5C23H33 (1)
Stoich.:	A3B5C23D33 (1)
Weight, g/mol:	440.253589
ΔH_f, kcal/mol:	-69.75
Dipole, Da:	3.94
IP(EA), eV:	-8.45(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[4-[2-(diethylamino)acetyl]morpholin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

CCN(CC)CC(=O)N1CCOC(C1)C2=NC(=NC=C2C3=CC=C(C=C3)OC)N(C)C

DOS

IR

Vibrations