Geometry & MOs

Info

ID:	27974
PubChem CID:	824492
Reduced:	NO2C21H23 (1)
Stoich.:	AB2C21D23 (1)
Weight, g/mol:	347.074678
ΔH_f, kcal/mol:	-36.36
Dipole, Da:	3.47
IP(EA), eV:	-7.88(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C[C@]1(CCC2=C(C1)NC3=C2C=C(C=C3)OC)C4=CC(=CC=C4)OC

DOS

IR

Vibrations