Geometry & MOs

Info

ID:	331939
PubChem CID:	127250225
Reduced:	ClSO2N4C22H23 (1)
Stoich.:	ABC2D4E22F23 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-15.8
Dipole, Da:	4.39
IP(EA), eV:	-8.72(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-1-[2-[5-[(4-methylphenyl)methyl]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC)C(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations