Geometry & MOs

Info

ID:	36322
PubChem CID:	8001623
Reduced:	N2O5C18H22 (1)
Stoich.:	A2B5C18D22 (1)
Weight, g/mol:	368.098391
ΔH_f, kcal/mol:	-181.78
Dipole, Da:	0.82
IP(EA), eV:	-9.19(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCCC1(C(=O)N(C(=O)N1)CC(=O)C2=CC3=C(C=C2)OCO3)CCC

DOS

IR

Vibrations