Geometry & MOs

Info

ID:	332154
PubChem CID:	127250440
Reduced:	SO2N4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	443.220892
ΔH_f, kcal/mol:	-0.12
Dipole, Da:	5.46
IP(EA), eV:	-9.02(-0.84)
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-3-yl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations