Geometry & MOs

Info

ID:	343424
PubChem CID:	127266597
Reduced:	FO2N4C13H19 (1)
Stoich.:	AB2C4D13E19 (1)
Weight, g/mol:	328.117155
ΔH_f, kcal/mol:	-106.11
Dipole, Da:	4.71
IP(EA), eV:	-10.42(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-nitro-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC#N)NC(=O)C(C(=O)NC(CC)CC#N)F

DOS

IR

Vibrations