Geometry & MOs

Info

ID:	192561
PubChem CID:	78286439
Reduced:	ClN2O3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	-115.97
Dipole, Da:	7.39
IP(EA), eV:	-9.68(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-anilino-N-(1,3-benzodioxol-5-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC(C)C(C)(C#N)NC(=O)COC(=O)C1(CCCC1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations