Geometry & MOs

Info

ID:	332350
PubChem CID:	127250636
Reduced:	OSN6C18H20 (1)
Stoich.:	ABC6D18E20 (1)
Weight, g/mol:	443.220892
ΔH_f, kcal/mol:	60.0
Dipole, Da:	2.04
IP(EA), eV:	-8.94(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCOC(C2)C3=CC=CC(=N3)C4=CN=C(N=C4)N

DOS

IR

Vibrations