Geometry & MOs

Info

ID:	26655
PubChem CID:	794471
Reduced:	NOC17H25 (1)
Stoich.:	ABC17D25 (1)
Weight, g/mol:	269.105193
ΔH_f, kcal/mol:	-59.97
Dipole, Da:	4.78
IP(EA), eV:	-9.2(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-3-methylbenzamide

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1C(=O)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations