Geometry & MOs

Info

ID:	284005
PubChem CID:	104025794
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	35.21
Dipole, Da:	3.92
IP(EA), eV:	-8.54(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[butan-2-yl(methyl)amino]ethyl]-4-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1N2CCCOC3=CC=CC=C32)C)NN

DOS

IR

Vibrations