Geometry & MOs

Info

ID:	433364
PubChem CID:	135173501
Reduced:	SN3O4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	263.224915
ΔH_f, kcal/mol:	-100.8
Dipole, Da:	4.69
IP(EA), eV:	-9.33(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethoxy-2,4,4-trimethylpentan-2-yl)-4-methylaniline

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C(=O)OCC3=CC=CC=C3)NC(=O)[C@@H]4C[C@H](CN4)O

DOS

IR

Vibrations