Geometry & MOs

Info

ID:	340332
PubChem CID:	127262343
Reduced:	IO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-90.87
Dipole, Da:	4.59
IP(EA), eV:	-9.1(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-phenylmethoxyiminomethyl]cycloheptane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(C)OC\1CCCCC/C1=C\I

DOS

IR

Vibrations