Geometry & MOs

Info

ID:	28673
PubChem CID:	828875
Reduced:	OSN2H14C19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	62.24
Dipole, Da:	3.93
IP(EA), eV:	-8.29(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbutyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(NC(=N2)C3=CC=CC=C3O)C4=CC=CS4

DOS

IR

Vibrations