Geometry & MOs

Info

ID:	332360
PubChem CID:	127250646
Reduced:	O3N4C26H26 (1)
Stoich.:	A3B4C26D26 (1)
Weight, g/mol:	446.206639
ΔH_f, kcal/mol:	-26.24
Dipole, Da:	1.49
IP(EA), eV:	-8.67(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[4-[2-(dimethylamino)-6-methylpyrimidine-4-carbonyl]morpholin-2-yl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(N2C=CC=CC2=N1)CC(=O)N3CCOC(C3)C4=CC=CC(=N4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations