Geometry & MOs

Info

ID:	136667
PubChem CID:	52082761
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	447.111599
ΔH_f, kcal/mol:	-107.57
Dipole, Da:	6.02
IP(EA), eV:	-8.08(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(thiophen-2-ylmethyl)-N-[3-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)CC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations