Geometry & MOs

Info

ID:	342981
PubChem CID:	127266144
Reduced:	NO2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-172.4
Dipole, Da:	4.35
IP(EA), eV:	-8.97(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-oxo-2-(2,3,4,5-tetrahydro-1-benzoxepin-5-ylamino)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC(=O)CC1CCN(CC1)C(=O)C=CCN2CCOCC2

DOS

IR

Vibrations