Geometry & MOs

Info

ID:	388608
PubChem CID:	134989638
Reduced:	NF3O3C10H12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	263.199762
ΔH_f, kcal/mol:	-280.67
Dipole, Da:	4.99
IP(EA), eV:	-10.5(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethylamino)-N,N-diethyl-3H-azepine-6-carboxamide

Drug info:

PubChemData

Smile

C=C1CCC[C@H]1[C@@H](C(=O)O)NC(=O)C(F)(F)F

DOS

IR

Vibrations