Geometry & MOs

Info

ID:	279402
PubChem CID:	103843768
Reduced:	BrNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	291.219829
ΔH_f, kcal/mol:	-74.76
Dipole, Da:	5.08
IP(EA), eV:	-9.78(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[2-ethyl-2-(hydroxymethyl)butyl]benzamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)/C=C/C1=CC(=CC=C1)Br)CO

DOS

IR

Vibrations