Geometry & MOs

Info

ID:	279675
PubChem CID:	103844632
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	-63.01
Dipole, Da:	5.27
IP(EA), eV:	-9.47(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-hydroxy-5-methylbenzamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CC2=C(C=C1)N=CN2)CO

DOS

IR

Vibrations