Geometry & MOs

Info

ID:	157364
PubChem CID:	56423124
Reduced:	OSN5H19C25 (1)
Stoich.:	ABC5D19E25 (1)
Weight, g/mol:	331.214744
ΔH_f, kcal/mol:	127.49
Dipole, Da:	3.25
IP(EA), eV:	-9.06(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC3=NC(=CS3)C4=CC=NC=C4)C5=CC=CC=C5

DOS

IR

Vibrations