Geometry & MOs

Info

ID:	145587
PubChem CID:	53548927
Reduced:	NO2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-156.71
Dipole, Da:	5.1
IP(EA), eV:	-8.93(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2,3-dihydro-1,4-benzodioxin-5-ylmethyl(ethyl)amino]-4-oxobutyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CC1CCCN(C1)C(=O)C2=CC=C(C=C2)COC3=CC=CC=C3

DOS

IR

Vibrations