Geometry & MOs

Info

ID:	30563
PubChem CID:	841510
Reduced:	NOC9H15 (2)
Stoich.:	ABC9D15 (2)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-122.05
Dipole, Da:	0.26
IP(EA), eV:	-9.05(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cycloheptylideneamino)-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN([C@H](CN1C(=O)C2CCCC2)C)C(=O)C3CCCC3

DOS

IR

Vibrations