Geometry & MOs

Info

ID:	433230
PubChem CID:	135173367
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	287.098
ΔH_f, kcal/mol:	-49.29
Dipole, Da:	3.23
IP(EA), eV:	-8.64(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxy-3-sulfanylphenyl)-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

C1CN(CC1(CCO)O)C2=NC=C(C=N2)C3=CC4=C(C=C3)N=C5N4CCOC5

DOS

IR

Vibrations