Geometry & MOs

Info

ID:	30224
PubChem CID:	840833
Reduced:	BrN3O3C13H18 (1)
Stoich.:	AB3C3D13E18 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-81.88
Dipole, Da:	3.22
IP(EA), eV:	-8.89(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]-3-methylbenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=NNC(=O)N)Br)OC(C)C

DOS

IR

Vibrations