Geometry & MOs

Info

ID:	337008
PubChem CID:	127256573
Reduced:	N2O8C23H24 (1)
Stoich.:	A2B8C23D24 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-287.67
Dipole, Da:	5.67
IP(EA), eV:	-8.94(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azepin-2-one;cyclohexanecarboxylic acid

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2N(C(O1)C(=O)OC3C4=CC=CC=C4N(CO3)CCC(=O)O)CCC(=O)O

DOS

IR

Vibrations