Geometry & MOs

Info

ID:	394109
PubChem CID:	135022334
Reduced:	NO5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	351.108171
ΔH_f, kcal/mol:	-157.33
Dipole, Da:	3.82
IP(EA), eV:	-8.96(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3,4-diphenyl-[1]benzothiolo[3,2-c]pyridine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC#CC(=O)OC)CC1=CC=C(C=C1)OC

DOS

IR

Vibrations