Geometry & MOs

Info

ID:	264483
PubChem CID:	103463859
Reduced:	ON3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	45.91
Dipole, Da:	3.39
IP(EA), eV:	-8.23(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-dimethylbutyl)-2-(4-hydroxybut-1-ynyl)-4-methylbenzamide

Drug info:

PubChemData

Smile

COCC(C1=CC=CC=C1)NC2=CC=CC3=C2NN=C3

DOS

IR

Vibrations