Geometry & MOs

Info

ID:	287906
PubChem CID:	104298334
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	-83.46
Dipole, Da:	6.85
IP(EA), eV:	-9.36(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-hydroxybut-1-ynyl)-3-methyl-N-(2-methylpentan-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC(C2)O)C#CCCO

DOS

IR

Vibrations