Geometry & MOs

Info

ID:	49054
PubChem CID:	11528659
Reduced:	NSO2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	221.177964
ΔH_f, kcal/mol:	-6.71
Dipole, Da:	6.63
IP(EA), eV:	-9.8(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-(3-methoxyphenyl)pentan-1-amine

Drug info:

PubChemData

Smile

C[C@]12[C@@H]3[C@H]1C4=CC=CC=C4S(=O)(=O)N2C3

DOS

IR

Vibrations