Geometry & MOs

Info

ID:	206760
PubChem CID:	80296105
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	299.155515
ΔH_f, kcal/mol:	-21.13
Dipole, Da:	7.81
IP(EA), eV:	-9.53(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-propylsulfonylanilino)methyl]pentan-1-ol

Drug info:

PubChemData

Smile

CCC(CCO)CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N

DOS

IR

Vibrations