Geometry & MOs

Info

ID:	366545
PubChem CID:	127320061
Reduced:	NOC11H17 (2)
Stoich.:	ABC11D17 (2)
Weight, g/mol:	389.231456
ΔH_f, kcal/mol:	-111.68
Dipole, Da:	0.94
IP(EA), eV:	-8.63(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylpropanamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1NC(=O)CC2(CCCCC2)O)C3CCCCC3

DOS

IR

Vibrations