Geometry & MOs

Info

ID:	331343
PubChem CID:	127248750
Reduced:	O3N5C23H33 (1)
Stoich.:	A3B5C23D33 (1)
Weight, g/mol:	440.253589
ΔH_f, kcal/mol:	-70.7
Dipole, Da:	4.14
IP(EA), eV:	-8.45(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN1CCOC(C1)C2=NC(=NC=C2C3=CC=C(C=C3)OC)N(C)C

DOS

IR

Vibrations