Geometry & MOs

Info

ID:	332042
PubChem CID:	127250328
Reduced:	O3N4C25H26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	442.200491
ΔH_f, kcal/mol:	-17.36
Dipole, Da:	2.48
IP(EA), eV:	-8.06(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]morpholin-2-yl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OCC(=C2)CN3CCOC(C3)C4=NC=C(C=C4)C5=CN=C(C=C5)N

DOS

IR

Vibrations