Geometry & MOs

Info

ID:	268903
PubChem CID:	103602046
Reduced:	SN2O5C9H12 (1)
Stoich.:	AB2C5D9E12 (1)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	-101.89
Dipole, Da:	6.01
IP(EA), eV:	-9.98(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-N,N-bis(3-methylbutyl)benzamide

Drug info:

PubChemData

Smile

COC(CNC(=O)C1=CC=C(S1)[N+](=O)[O-])OC

DOS

IR

Vibrations