Geometry & MOs

Info

ID:	332313
PubChem CID:	127250599
Reduced:	N3O3C27H29 (1)
Stoich.:	A3B3C27D29 (1)
Weight, g/mol:	435.190654
ΔH_f, kcal/mol:	-59.65
Dipole, Da:	4.36
IP(EA), eV:	-8.51(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxy-4-[[2-(6-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C=CC(=C2)CN3CCOC(C3)C4=CC=CC(=N4)C5=CC(=CC=C5)C(=O)N)C

DOS

IR

Vibrations