Geometry & MOs

Info

ID:	287912
PubChem CID:	104298545
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-56.77
Dipole, Da:	5.29
IP(EA), eV:	-9.33(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylbutyl)-4-(3-hydroxyprop-1-ynyl)-3-methylbenzamide

Drug info:

PubChemData

Smile

CCCCCCNC(=O)C1=CC(=C(C=C1)C#CCCO)C

DOS

IR

Vibrations