Geometry & MOs

Info

ID:	337009
PubChem CID:	127256574
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	221.029978
ΔH_f, kcal/mol:	-47.49
Dipole, Da:	7.79
IP(EA), eV:	-10.28(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azepin-2-one;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)O.C1=CC=NC(=O)C=C1

DOS

IR

Vibrations